(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C18H15ClN2O2 — CID 7798146

IUPAC(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)NC(=O)N1
InChIInChI=1S/C18H15ClN2O2/c1-11-15(17(22)12-7-3-2-4-8-12)16(21-18(23)20-11)13-9-5-6-10-14(13)19/h2-10,16H,1H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyIVINMBVBTHQEIT-MRXNPFEDSA-N
MW326.78 g/mol
LogP3.85
Rot. Bonds3

About (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7798146) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7798146
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)NC(=O)N1
InChIInChI=1S/C18H15ClN2O2/c1-11-15(17(22)12-7-3-2-4-8-12)16(21-18(23)20-11)13-9-5-6-10-14(13)19/h2-10,16H,1H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyIVINMBVBTHQEIT-MRXNPFEDSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7714979
cyclopentyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2847451
4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
CID 53426134
(4R)-4-(2-chlorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 40563254
2-methylpropyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722624
(4R)-5-benzoyl-6-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7817242
(4R)-5-(4-chlorobenzoyl)-4-(2-chloro-6-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7733563
[(2S)-butan-2-yl] (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 717429
N-(4-bromophenyl)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4257039
(4R)-5-benzoyl-4-(2,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7800722

Frequently Asked Questions

What is the IUPAC name of (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 7798146) is (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)NC(=O)N1.
What is the InChIKey of (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is IVINMBVBTHQEIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-15(17(22)12-7-3-2-4-8-12)16(21-18(23)20-11)13-9-5-6-10-14(13)19/h2-10,16H,1H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 326.78 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7798146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).