4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid

C14H14N2O4 — CID 82306772

IUPAC4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncnc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C14H14N2O4/c1-8-12(14(17)18)13(16-7-15-8)9-4-5-10(19-2)11(6-9)20-3/h4-7H,1-3H3,(H,17,18)
InChIKeyMSSQOPNNHNNPAV-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.17
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid

4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 82306772) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID82306772
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncnc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C14H14N2O4/c1-8-12(14(17)18)13(16-7-15-8)9-4-5-10(19-2)11(6-9)20-3/h4-7H,1-3H3,(H,17,18)
InChIKeyMSSQOPNNHNNPAV-UHFFFAOYSA-N
XLogP2.17
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82293374
4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 95478845
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82296194
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
3,4-dimethoxybenzoic acid;methanol
CID 144580050
methyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045136
6-(3,4-dimethoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035666
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
5-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 94701090

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid (CID 82306772) is 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid is COc1ccc(-c2ncnc(C)c2C(=O)O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is MSSQOPNNHNNPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-12(14(17)18)13(16-7-15-8)9-4-5-10(19-2)11(6-9)20-3/h4-7H,1-3H3,(H,17,18).
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82306772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).