1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol
Basic information
- CAS
35965-91-4- Standard SMILES
C=CCC1(CC=C)CNC(=O)N(c2ccc(Cl)cc2)C1- InChIKey
XXECLDGAFVXFPR-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O
- Average molar mass
- 290.79 g/mol
- Monoisotopic mass
- 290.1185909
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol
- IUPAC
- 1-(4-chlorophenyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-2-one
Names & synonyms
35965-91-4DTXSID809573811-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-olRefChem:1054341DTXCID201385322Tetrahydro-1-(p-chlorophenyl)-5,5-di-2-propenyl-2(1H)-pyrimidinone2(1H)-Pyrimidinone, tetrahydro-1-(p-chlorophenyl)-5,5-di-2-propenyl-
Database identifiers
- CAS
35965-91-4- PubChem CID
- 215630
- DTXSID
DTXSID80957381
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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