5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C12H14N2O — CID 58398991

IUPAC5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C12H14N2O/c1-8-9(2)13-12(15)14-11(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H2,13,14,15)
InChIKeyKMFIFDDLIUBYCS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.33
Rot. Bonds1

About 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 58398991) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID58398991
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C12H14N2O/c1-8-9(2)13-12(15)14-11(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H2,13,14,15)
InChIKeyKMFIFDDLIUBYCS-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
(4-methylphenyl)methyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 695424
cyclooctyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722645
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135420183
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
butyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7093845
methyl (4S)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 698630
[(1R,2R)-2-methylcyclopentyl] (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11875564
(4S)-4-(4-tert-butylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7798160

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 58398991) is 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is KMFIFDDLIUBYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-9(2)13-12(15)14-11(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H2,13,14,15).
What are the key properties of 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 58398991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).