5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one

C12H13N3O — CID 137000220

IUPAC5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESCNc1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H13N3O/c1-8-10(9-6-4-3-5-7-9)14-12(13-2)15-11(8)16/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyZLZWMGNCPYCDJD-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.79
Rot. Bonds2

About 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one

5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 137000220) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID137000220
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESCNc1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H13N3O/c1-8-10(9-6-4-3-5-7-9)14-12(13-2)15-11(8)16/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyZLZWMGNCPYCDJD-UHFFFAOYSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 136609072
4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136764434
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one (CID 137000220) is 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one is CNc1nc(-c2ccccc2)c(C)c(=O)[nH]1.
What is the InChIKey of 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is ZLZWMGNCPYCDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-10(9-6-4-3-5-7-9)14-12(13-2)15-11(8)16/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one?
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137000220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).