2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid

C10H9N3O2 — CID 96619111

IUPAC2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(-c2[nH]ccc2C(=O)O)ncn1
InChIInChI=1S/C10H9N3O2/c1-6-4-8(13-5-12-6)9-7(10(14)15)2-3-11-9/h2-5,11H,1H3,(H,14,15)
InChIKeyLCZILGUSGSDSEL-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.48
Rot. Bonds2

About 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid

2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 96619111) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID96619111
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(-c2[nH]ccc2C(=O)O)ncn1
InChIInChI=1S/C10H9N3O2/c1-6-4-8(13-5-12-6)9-7(10(14)15)2-3-11-9/h2-5,11H,1H3,(H,14,15)
InChIKeyLCZILGUSGSDSEL-UHFFFAOYSA-N
XLogP1.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid
CID 96624791
4,6-dimethylpyrimidine;4-sulfanylbenzoic acid
CID 70395158
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
2-methyl-5-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653356
2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
CID 82388017
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
5-(6-methylpyrimidin-4-yl)-1H-pyrazol-4-amine
CID 82411176
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
2-(6-methylpyrimidin-4-yl)propanoic acid
CID 82597052
2-fluoro-5-(6-methylpyrimidin-4-yl)sulfanylbenzoic acid
CID 113371807
2-chloro-4-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 61399214

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid (CID 96619111) is 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid is Cc1cc(-c2[nH]ccc2C(=O)O)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is LCZILGUSGSDSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-4-8(13-5-12-6)9-7(10(14)15)2-3-11-9/h2-5,11H,1H3,(H,14,15).
What are the key properties of 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid?
2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 96619111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).