6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C16H13ClN2O — CID 11666365

IUPAC6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccc(Cl)cc2)=CC(c2ccccc2)N1
InChIInChI=1S/C16H13ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10,14H,(H2,18,19,20)
InChIKeyXHNUYSRPTDDIKN-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.73
Rot. Bonds2

About 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 11666365) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID11666365
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccc(Cl)cc2)=CC(c2ccccc2)N1
InChIInChI=1S/C16H13ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10,14H,(H2,18,19,20)
InChIKeyXHNUYSRPTDDIKN-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 11666365) is 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccc(Cl)cc2)=CC(c2ccccc2)N1.
What is the InChIKey of 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is XHNUYSRPTDDIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10,14H,(H2,18,19,20).
What are the key properties of 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 11666365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).