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

C16H11ClN2O — CID 624641

IUPAC6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H11ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyGOBHMMCUKZFUKP-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.76
Rot. Bonds2

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

6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one (PubChem CID 624641) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
PubChem CID624641
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H11ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyGOBHMMCUKZFUKP-UHFFFAOYSA-N
XLogP3.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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AC1L1U23
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2-Oxo-4,6-di(4-chlorophenyl)-1,2-dihydropyrimidine
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4-Phenyl-6-p-tolyl-pyrimidin-2-ol
CID 621547
4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine
CID 388253
4-(4-Chlorophenyl)quinazolin-2-ol
CID 712789
4,6-Bis(4-chlorophenyl)-1,3,6-trihydropyrimidin-2-one
CID 5019165
2(1H)-Pyrimidinone, 5-chloro-4,6-diphenyl-
CID 624638
4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one
CID 156780107
7Uug8LV9NV
CID 11857175
6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one
CID 16660660

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one (CID 624641) is 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is GOBHMMCUKZFUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20).
What are the key properties of 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one?
6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 282.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 624641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).