2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one

C12H12N2O3 — CID 43654596

IUPAC2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nccc(=O)[nH]2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-9-4-3-8(7-10(9)17-2)12-13-6-5-11(15)14-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyYPBHGKPUJCPWGI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one

2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 43654596) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID43654596
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nccc(=O)[nH]2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-9-4-3-8(7-10(9)17-2)12-13-6-5-11(15)14-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyYPBHGKPUJCPWGI-UHFFFAOYSA-N
XLogP1.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 82471766
2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785125
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978185
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
CID 106514360
5-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methylsulfinylpyrimidine
CID 174640688
2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611423
2-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]acetonitrile
CID 82386420
5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one (CID 43654596) is 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2nccc(=O)[nH]2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is YPBHGKPUJCPWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-9-4-3-8(7-10(9)17-2)12-13-6-5-11(15)14-12/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 232.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 43654596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).