6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one

C16H13ClN2O — CID 69424931

IUPAC6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one
SMILESO=C1NC(c2cccc(Cl)c2)=CCN1c1ccccc1
InChIInChI=1S/C16H13ClN2O/c17-13-6-4-5-12(11-13)15-9-10-19(16(20)18-15)14-7-2-1-3-8-14/h1-9,11H,10H2,(H,18,20)
InChIKeyFABLWFVMYVHLIA-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.91
Rot. Bonds2

About 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one

6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one (PubChem CID 69424931) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one
PubChem CID69424931
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one
SMILESO=C1NC(c2cccc(Cl)c2)=CCN1c1ccccc1
InChIInChI=1S/C16H13ClN2O/c17-13-6-4-5-12(11-13)15-9-10-19(16(20)18-15)14-7-2-1-3-8-14/h1-9,11H,10H2,(H,18,20)
InChIKeyFABLWFVMYVHLIA-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 69293962
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4-(3-chlorophenyl)-1,3-dihydroindol-2-one
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5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
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2,3-bis(3-chlorophenyl)-5-phenyl-1H-tetrazole
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6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
CID 25182420
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
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6-chloro-2-phenyl-3H-isoindol-1-one
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CID 98119677

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one (CID 69424931) is 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one is O=C1NC(c2cccc(Cl)c2)=CCN1c1ccccc1.
What is the InChIKey of 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one?
The InChIKey is FABLWFVMYVHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-6-4-5-12(11-13)15-9-10-19(16(20)18-15)14-7-2-1-3-8-14/h1-9,11H,10H2,(H,18,20).
What are the key properties of 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one?
6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 69424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).