6-methylpyrimidine-4-carboxylic acid

C6H6N2O2 — CID 19018488

IUPAC6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)ncn1
InChIInChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)8-3-7-4/h2-3H,1H3,(H,9,10)
InChIKeyYSRGRWJKRYESQW-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.48
Rot. Bonds1

About 6-methylpyrimidine-4-carboxylic acid

6-methylpyrimidine-4-carboxylic acid (PubChem CID 19018488) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methylpyrimidine-4-carboxylic acid
PubChem CID19018488
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)ncn1
InChIInChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)8-3-7-4/h2-3H,1H3,(H,9,10)
InChIKeyYSRGRWJKRYESQW-UHFFFAOYSA-N
XLogP0.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methylpyrimidine-4-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

Related Compounds

4-Pyrimidinecarboxylic acid
CID 169306
Pyrimidine-4,6-dicarboxylic acid
CID 239360
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
2-Aminopyrimidine-4-carboxylic acid
CID 247194
6-Cyclohexylpyrimidine-4-carboxylic acid
CID 83820048
Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736835
2-Chloropyrimidine-4-carboxylic acid
CID 22135751
4-Pyrimidinecarboxylic acid, 2-bromo-
CID 72710417
6-Methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
CID 39870544
2-Chloro-6-methylpyrimidine-4-carboxylic acid
CID 10535213
2-Chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 10775652
2-Methoxypyrimidine-4-carboxylic acid
CID 12570285

Frequently Asked Questions

What is the IUPAC name of 6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-methylpyrimidine-4-carboxylic acid (CID 19018488) is 6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)ncn1.
What is the InChIKey of 6-methylpyrimidine-4-carboxylic acid?
The InChIKey is YSRGRWJKRYESQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)8-3-7-4/h2-3H,1H3,(H,9,10).
What are the key properties of 6-methylpyrimidine-4-carboxylic acid?
6-methylpyrimidine-4-carboxylic acid has a molecular weight of 138.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 19018488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).