Basic information
- CAS
37905-56-9- Standard SMILES
Cc1nc2ccc(Cl)cc2c(=O)n1-c1ncccn1- InChIKey
LKTWWJPYKPAYBC-UHFFFAOYSA-N- Molecular formula
- C13H9ClN4O
- Average molar mass
- 272.69 g/mol
- Monoisotopic mass
- 272.0464886
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-chloro-2-methyl-3-(2-pyrimidinyl)-
- IUPAC
- 6-chloro-2-methyl-3-pyrimidin-2-ylquinazolin-4-one
Names & synonyms
37905-56-96-chloro-2-methyl-3-(pyrimidin-2-yl)quinazolin-4(3H)-one4(3H)-Quinazolinone, 6-chloro-2-methyl-3-(2-pyrimidinyl)-6-chloro-2-methyl-3-(pyrimidin-2-yl)-3,4-dihydroquinazolin-4-oneBRN 09213276-Chloro-2-methyl-3-(2-pyrimidinyl)-4(3H)-quinazolinoneDTXSID10191337
Database identifiers
- CAS
37905-56-9- PubChem CID
- 63237
- DTXSID
DTXSID10191337
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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