2-[(2-cyanoethyl)[2-(1H-imidazol-1-yl)-6-methyl4-pyrimidinyl]amino]acetic acid
Basic information
- Standard SMILES
Cc1cc(N(CCC#N)CC(=O)O)nc(-n2ccnc2)n1- InChIKey
OXVXIAFAFHECEA-UHFFFAOYSA-N- Molecular formula
- C13H14N6O2
- Average molar mass
- 286.29 g/mol
Names & identifiers
- Preferred name
- 2-[(2-cyanoethyl)[2-(1H-imidazol-1-yl)-6-methyl4-pyrimidinyl]amino]acetic acid
- IUPAC
- 2-[2-cyanoethyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]acetic acid
Names & synonyms
SCHEMBL6296667OXVXIAFAFHECEA-UHFFFAOYSA-N2-[(2-cyanoethyl)[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]amino]acetic acid2-[(2-cyanoethyl)[2-(1H-imidazol-1-yl)-6-methyl4-pyrimidinyl]amino]acetic acid
Database identifiers
- PubChem CID
- 22487601
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Related reactions
17 records
Compound notes
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