1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one

C13H14N2O2 — CID 12596963

IUPAC1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccccc1-n1c(C)cc(C)nc1=O
InChIInChI=1S/C13H14N2O2/c1-9-8-10(2)15(13(16)14-9)11-6-4-5-7-12(11)17-3/h4-8H,1-3H3
InChIKeyKTVZPBXAAOIEQE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds2

About 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one

1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 12596963) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
PubChem CID12596963
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccccc1-n1c(C)cc(C)nc1=O
InChIInChI=1S/C13H14N2O2/c1-9-8-10(2)15(13(16)14-9)11-6-4-5-7-12(11)17-3/h4-8H,1-3H3
InChIKeyKTVZPBXAAOIEQE-UHFFFAOYSA-N
XLogP1.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 5337650
3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one
CID 86043980
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183
1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120124
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one
CID 82841610
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 39247985
1-(2-methoxyphenyl)-5,7-dimethyl-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250585
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
CID 50850667

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one (CID 12596963) is 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one is COc1ccccc1-n1c(C)cc(C)nc1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is KTVZPBXAAOIEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-8-10(2)15(13(16)14-9)11-6-4-5-7-12(11)17-3/h4-8H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 12596963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).