(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

C18H16N2O2 — CID 7379197

IUPAC(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12(21)15-16(13-8-4-2-5-9-13)19-18(22)20-17(15)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyUVSVKQLEVIAXCK-MRXNPFEDSA-N
MW292.34 g/mol
LogP3.04
Rot. Bonds3

About (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7379197) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7379197
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12(21)15-16(13-8-4-2-5-9-13)19-18(22)20-17(15)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyUVSVKQLEVIAXCK-MRXNPFEDSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5-acetyl-4-(2-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 787064
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 20707073
2-[4-[(4S)-5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxyphenoxy]acetate
CID 7126646
5-acetyl-4-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 4570363
methyl 4-(3-bromophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843357
4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 51348811
5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 555860
ethyl 2-oxo-6-phenyl-4-(4-propylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 23988201
methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate
CID 42612770
1-[(4R)-4-(4-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 8651904
2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide
CID 2943548
propan-2-yl 2-oxo-6-phenyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842840

Frequently Asked Questions

What is the IUPAC name of (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 7379197) is (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is UVSVKQLEVIAXCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(21)15-16(13-8-4-2-5-9-13)19-18(22)20-17(15)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7379197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).