6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one

C19H17ClN2O2 — CID 10735953

IUPAC6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCc1cc(C)cc(C2C=C(C(=O)c3ccc(Cl)cc3)NC(=O)N2)c1
InChIInChI=1S/C19H17ClN2O2/c1-11-7-12(2)9-14(8-11)16-10-17(22-19(24)21-16)18(23)13-3-5-15(20)6-4-13/h3-10,16H,1-2H3,(H2,21,22,24)
InChIKeyVRNBZIPRIYVZBB-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.08
Rot. Bonds3

About 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one

6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 10735953) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID10735953
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCc1cc(C)cc(C2C=C(C(=O)c3ccc(Cl)cc3)NC(=O)N2)c1
InChIInChI=1S/C19H17ClN2O2/c1-11-7-12(2)9-14(8-11)16-10-17(22-19(24)21-16)18(23)13-3-5-15(20)6-4-13/h3-10,16H,1-2H3,(H2,21,22,24)
InChIKeyVRNBZIPRIYVZBB-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 10754787
4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
CID 2763318
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858259
(4S)-4-(4-tert-butylphenyl)-5-(4-chlorobenzoyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7870441
(5R,6S)-5-(4-chlorobenzoyl)-4-methylidene-6-(2,4,6-trimethylphenyl)-1,3-diazinan-2-one
CID 2392345
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(4S)-4-(1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858271
(4R)-5-(4-chlorobenzoyl)-6-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7870448
5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 102385232
(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 7715483
(4S)-5-(4-chlorobenzoyl)-6-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7858333
[(4S)-4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-chlorophenyl)methanone
CID 25425963

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 10735953) is 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one is Cc1cc(C)cc(C2C=C(C(=O)c3ccc(Cl)cc3)NC(=O)N2)c1.
What is the InChIKey of 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is VRNBZIPRIYVZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-7-12(2)9-14(8-11)16-10-17(22-19(24)21-16)18(23)13-3-5-15(20)6-4-13/h3-10,16H,1-2H3,(H2,21,22,24).
What are the key properties of 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 340.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 10735953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).