Basic information
- Standard SMILES
N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cnc1Cl- InChIKey
YGRHLQOMDUUORD-UHFFFAOYSA-N- Molecular formula
- C20H18ClN7O
- Average molar mass
- 407.9 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-[2-(6-morpholin-4-ylmethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-nicotinonitrile
- IUPAC
- 2-chloro-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL15986698YGRHLQOMDUUORD-UHFFFAOYSA-N2-Chloro-5-[2-(6-morpholin-4-ylmethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-nicotinonitrile
Database identifiers
- PubChem CID
- 90369529
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 566
Related reactions
2 records
Compound notes
Loading…