Basic information
- Standard SMILES
N#Cc1c(NCCO)nc(NCc2cccnc2)nc1N1CCN(c2ccccc2)CC1- InChIKey
CDZZRIVPDNKNEO-UHFFFAOYSA-N- Molecular formula
- C23H26N8O
- Average molar mass
- 430.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-Hydroxy-ethylamino)-6-(4-phenyl-piperazin-1-yl)-2-[(pyridin-3-ylmethyl)-amino]-pyrimidine-5-carbonitrile
- IUPAC
- 4-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL4420264CDZZRIVPDNKNEO-UHFFFAOYSA-N4-(2-hydroxy-ethylamino)-6-(4-phenyl-piperazin-1-yl)-2-[(pyridin-3-ylmethyl)-amino]-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18753201
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
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