Basic information
- Standard SMILES
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(NC3CCC(O)CC3)nc21- InChIKey
QPTFJVMZZLHQEZ-UHFFFAOYSA-N- Molecular formula
- C22H27F2N5O4
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.20311068
Names & identifiers
- Preferred name
- 3-(2,6-Difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-(4-hydroxy-cyclohexylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
- IUPAC
- 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one
Names & synonyms
SCHEMBL4398569QPTFJVMZZLHQEZ-UHFFFAOYSA-N3-(2,6-Difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-(4-hydroxy-cyclohexylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
Database identifiers
- PubChem CID
- 10073085
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 655
Related reactions
2 records
Compound notes
Loading…