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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).