5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one

C16H11ClN2O2 — CID 79431425

IUPAC5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-4-7-11(9-12)13-15(20)18-14(19-16(13)21)10-5-2-1-3-6-10/h1-9H,(H2,18,19,20,21)
InChIKeyIFWPWMSATCVART-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.46
Rot. Bonds2

About 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one

5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one (PubChem CID 79431425) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
PubChem CID79431425
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-4-7-11(9-12)13-15(20)18-14(19-16(13)21)10-5-2-1-3-6-10/h1-9H,(H2,18,19,20,21)
InChIKeyIFWPWMSATCVART-UHFFFAOYSA-N
XLogP3.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 79431642
5-(3-chlorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 79431769
5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79431640
5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one
CID 79431639
2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106886137
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 79431771
5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107925383
2-(1-aminopropan-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440205
5-(3-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439793

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one (CID 79431425) is 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2)nc(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is IFWPWMSATCVART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-8-4-7-11(9-12)13-15(20)18-14(19-16(13)21)10-5-2-1-3-6-10/h1-9H,(H2,18,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 298.73 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79431425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).