Basic information
- Standard SMILES
O=c1ccnc(Nc2cccc(Cl)c2)[nH]1- InChIKey
YBOHNQNCXZWDSL-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O
- Average molar mass
- 221.64 g/mol
Names & identifiers
- Preferred name
- 2-(3-chlorophenylamino)pyrimidin-4(3H)-one
- IUPAC
- 2-(3-chloroanilino)-1H-pyrimidin-6-one
Names & synonyms
2-(3-chlorophenylamino)pyrimidin-4(3H)-oneOprea1_177921SCHEMBL3439825SCHEMBL4255796YBOHNQNCXZWDSL-UHFFFAOYSA-NAKOS0022411362-(3-Chloro-phenylamino)-pyrimidine-4-olST501946032-[(3-chlorophenyl)amino]-3-hydropyrimidin-4-one
Database identifiers
- PubChem CID
- 1639233
- Nikkaji
- J783.993F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Related reactions
5 records
Compound notes
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