MTBD 25
An organic compound, C8H15N3, 153.229 g/mol. Appears in 1,694 documented reactions across 8 classes.
Identifiers
- Molecular formula
- C₈H₁₅N₃
- Molecular weight
- 153.229 g/mol
- Exact mass
- 153.126597 g/mol
- IUPAC name
- 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
- CN1CCCN2CCCN=C12
- InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
- OEBXWWBYZJNKRK-UHFFFAOYSA-N
Calculated properties
- Molecular weight
- 153.22 g/mol
- Exact mass
- 153.126597491 Da
- XLogP3
- -0.1
- Polar surface area
- 18.8 Ų
- Complexity
- 176
- H-bond donors
- 0
- H-bond acceptors
- 1
- logP
- 0.3836
- Topological polar surface area
- 18.84 Ų
- H-bond donors
- 0
- H-bond acceptors
- 3
- Rotatable bonds
- 0
- Molar refractivity
- 45.739 cm³/mol
- Fraction sp³ carbons
- 0.875
- QED drug-likeness
- 0.5009
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 11
- Total atoms, hydrogen included
- 26
- Rings
- 2
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
1,694 documented reactions involve MTBD 25, each with a written procedure and a source across 8 classes. A few from each are shown.
Buchwald–Hartwig phosphination
Buchwald–Hartwig phosphination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Palladium-catalysed enolate arylation
Palladium-catalysed enolate arylation · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig thioetherification
Buchwald–Hartwig thioetherification · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Sonogashira coupling
Sonogashira coupling · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig etherification
Buchwald–Hartwig etherification · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Suzuki–Miyaura coupling
Suzuki–Miyaura coupling · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Mizoroki–Heck reaction
Mizoroki–Heck reaction · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig phosphination
Buchwald–Hartwig phosphination · as a reagent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
All 5 buchwald–hartwig phosphination recordsAll 5 buchwald–hartwig amination recordsAll 5 palladium-catalysed enolate arylation recordsAll 5 buchwald–hartwig thioetherification recordsAll 5 sonogashira coupling recordsAll 5 buchwald–hartwig etherification recordsAll 5 suzuki–miyaura coupling recordsAll 5 mizoroki–heck reaction records
Other names for it
The systematic name on this record is 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
The sources also call it 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene, 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido(1,2-a)pyrimidine, EINECS 281-791-1, DTXSID70232932, 7-methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene, RefChem:106326, DTXCID00155423, OEBXWWBYZJNKRK-UHFFFAOYSA-N, MTBD, 1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine, 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as MTBD 25. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under M
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C8H15N3 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of MTBD 25 for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.