4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one

C19H20N2O — CID 16753232

IUPAC4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one
SMILESCN1C=C(c2ccccc2)C(Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C19H20N2O/c1-20-14-17(16-11-7-4-8-12-16)18(21(2)19(20)22)13-15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3
InChIKeyQDRWSEOZSWLINT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.64
Rot. Bonds3

About 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one

4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one (PubChem CID 16753232) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one
PubChem CID16753232
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one
SMILESCN1C=C(c2ccccc2)C(Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C19H20N2O/c1-20-14-17(16-11-7-4-8-12-16)18(21(2)19(20)22)13-15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3
InChIKeyQDRWSEOZSWLINT-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N,N'-Bis(2-phenylethyl)urea
CID 95244
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10594764
1-(1-Benzyl-piperidin-4-yl)-3-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10783874
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
(S)-4-(2,5-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenyl-2H-pyrrole-1(5H)-carboxamide
CID 44568231
1-[(1S)-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 94519439

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one?
The IUPAC name of 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one (CID 16753232) is 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one.
What is the SMILES notation for 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one?
The canonical SMILES for 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one is CN1C=C(c2ccccc2)C(Cc2ccccc2)N(C)C1=O.
What is the InChIKey of 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one?
The InChIKey is QDRWSEOZSWLINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-20-14-17(16-11-7-4-8-12-16)18(21(2)19(20)22)13-15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3.
What are the key properties of 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one?
4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one is sourced from PubChem (CID 16753232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).