2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C13H14N2O4 — CID 63611423

IUPAC2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-7-12(16)14-11(15-13(7)17)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyXUHOPFACNVCIOP-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.47
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63611423) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63611423
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-7-12(16)14-11(15-13(7)17)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyXUHOPFACNVCIOP-UHFFFAOYSA-N
XLogP1.47
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66312316
2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136938664
5-bromo-2-(3-chloro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66312310
5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66311914
2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611424
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135830947
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611790
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65022382
4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
CID 46734906
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63611423) is 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is COc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is XUHOPFACNVCIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-12(16)14-11(15-13(7)17)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 262.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).