4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

C12H12N2O2 — CID 136692138

IUPAC4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2nc[nH]c(=O)c2C)c1
InChIInChI=1S/C12H12N2O2/c1-8-11(13-7-14-12(8)15)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyXHXSSQZWTBVCBL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.75
Rot. Bonds2

About 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one

4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692138) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136692138
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2nc[nH]c(=O)c2C)c1
InChIInChI=1S/C12H12N2O2/c1-8-11(13-7-14-12(8)15)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyXHXSSQZWTBVCBL-UHFFFAOYSA-N
XLogP1.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
CID 125458438
7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135856872
6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135836115
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one (CID 136692138) is 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is COc1cccc(-c2nc[nH]c(=O)c2C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is XHXSSQZWTBVCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-11(13-7-14-12(8)15)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one?
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).