2-methyl-1-phenylpyrimidin-4-one

C11H10N2O — CID 589332

IUPAC2-methyl-1-phenylpyrimidin-4-one
SMILESCc1nc(=O)ccn1-c1ccccc1
InChIInChI=1S/C11H10N2O/c1-9-12-11(14)7-8-13(9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyADPCLEIEEHHYAQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.54
Rot. Bonds1

About 2-methyl-1-phenylpyrimidin-4-one

2-methyl-1-phenylpyrimidin-4-one (PubChem CID 589332) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-methyl-1-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-1-phenylpyrimidin-4-one
PubChem CID589332
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-methyl-1-phenylpyrimidin-4-one
SMILESCc1nc(=O)ccn1-c1ccccc1
InChIInChI=1S/C11H10N2O/c1-9-12-11(14)7-8-13(9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyADPCLEIEEHHYAQ-UHFFFAOYSA-N
XLogP1.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-phenylimidazol-4-amine
CID 23064547
3-methyl-1-phenylpyrimidine-2,4-dione
CID 14566646
3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
CID 82288832
2-methyl-1-phenylpyrrol-3-ol
CID 5324689
3-methylsulfanyl-1-phenylpyrazin-2-one
CID 146074847
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
[2-methyl-1-(4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropan-2-yl] 2-methylprop-2-enoate
CID 170142666
2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 68573802
N-(2-oxo-1-phenylpyrimidin-4-yl)formamide
CID 154650491
4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 175789879
2-(1-aminoethyl)-6-phenyl-1,6-naphthyridin-5-one
CID 141360565
methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
CID 38020965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpyrimidin-4-one?
The IUPAC name of 2-methyl-1-phenylpyrimidin-4-one (CID 589332) is 2-methyl-1-phenylpyrimidin-4-one.
What is the SMILES notation for 2-methyl-1-phenylpyrimidin-4-one?
The canonical SMILES for 2-methyl-1-phenylpyrimidin-4-one is Cc1nc(=O)ccn1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylpyrimidin-4-one?
The InChIKey is ADPCLEIEEHHYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-12-11(14)7-8-13(9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-methyl-1-phenylpyrimidin-4-one?
2-methyl-1-phenylpyrimidin-4-one has a molecular weight of 186.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpyrimidin-4-one is sourced from PubChem (CID 589332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).