Basic information
- Standard SMILES
CC1CC(C)(C)NC=N1- InChIKey
KXCXAYIXKHLEPU-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Names & identifiers
- Preferred name
- 4,4,6-Trimethyl-3,4,5,6-tetrahydropyrimidine
- IUPAC
- 4,6,6-trimethyl-4,5-dihydro-1H-pyrimidine
Names & synonyms
SCHEMBL11424503SCHEMBL19441738KXCXAYIXKHLEPU-UHFFFAOYSA-NAKOS0063563574,6,6-trimethyl-1,4-dihydropyrimidine4,4,6-trimethyl-3,4,5,6-tetrahydropyrimidine4,4,6-trimethyl - 3,4,5,6-tetrahydropyrimidine4,4,6-trimethyl-3,4,5,6,-tetrahydropyrimidine
Database identifiers
- PubChem CID
- 20330124
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Related reactions
7 records
Compound notes
Loading…