(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one

C20H19ClN2O2 — CID 6990709

IUPAC(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
SMILESCC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c1-13-18(14(2)24)19(16-10-6-7-11-17(16)21)22-20(25)23(13)12-15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyWQURSXNVAZPXOM-LJQANCHMSA-N
MW354.84 g/mol
LogP4.47
Rot. Bonds4

About (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one

(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one (PubChem CID 6990709) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
PubChem CID6990709
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
SMILESCC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c1-13-18(14(2)24)19(16-10-6-7-11-17(16)21)22-20(25)23(13)12-15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyWQURSXNVAZPXOM-LJQANCHMSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[6-(2-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid
CID 5461463
4-[[(6R)-6-(2-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid
CID 51666964
methyl (6S)-6-(2-chlorophenyl)-4-methyl-3-(2-methylpropyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 32955320
propan-2-yl (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2304044
2-methoxyethyl 3-benzyl-6-(2-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3423903
4-[6-(2-chlorophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 5461531
5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 11737016
(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 781896
ethyl (6S)-6-(2-chlorophenyl)-4-methyl-2-oxo-3-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 989615
(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one
CID 8009207
propan-2-yl 3-benzyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 21177722
4-[6-(2,3-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 5461693

Frequently Asked Questions

What is the IUPAC name of (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one (CID 6990709) is (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one is CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1Cl.
What is the InChIKey of (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
The InChIKey is WQURSXNVAZPXOM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13-18(14(2)24)19(16-10-6-7-11-17(16)21)22-20(25)23(13)12-15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one has a molecular weight of 354.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 6990709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).