Basic information
- CAS
1169698-47-8- Standard SMILES
Nc1ncc(-c2ccncc2Cl)c(NC2CCCC2)n1- InChIKey
JIOHKKWRBXRJRW-UHFFFAOYSA-N- Molecular formula
- C14H16ClN5
- Average molar mass
- 289.76 g/mol
- Monoisotopic mass
- 289.10942319
Names & identifiers
- Preferred name
- 5-(3-Chloropyridin-4-yl)-N4-cyclopentylpyrimidine-2,4-diamine
- IUPAC
- 5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine
Names & synonyms
1169698-47-85-(3-Chloropyridin-4-yl)-N4-cyclopentylpyrimidine-2,4-diamineSCHEMBL1976350JIOHKKWRBXRJRW-UHFFFAOYSA-NDTXSID801182578DA-151005-(3-Chloro-4-pyridinyl)-N4-cyclopentyl-2,4-pyrimidinediamine5-(3-Chloropyridin-4-yl)-N~4~-cyclopentylpyrimidine-2,4-diamine
Database identifiers
- CAS
1169698-47-8- PubChem CID
- 58299575
- DTXSID
DTXSID801182578
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Related reactions
4 records
Compound notes
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