2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid

C10H9N3O2 — CID 82282573

IUPAC2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(-c2cc[nH]c2)n1
InChIInChI=1S/C10H9N3O2/c1-6-12-5-8(10(14)15)9(13-6)7-2-3-11-4-7/h2-5,11H,1H3,(H,14,15)
InChIKeyOXYPJWKIEGTDBX-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.48
Rot. Bonds2

About 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid

2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid (PubChem CID 82282573) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid
PubChem CID82282573
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(-c2cc[nH]c2)n1
InChIInChI=1S/C10H9N3O2/c1-6-12-5-8(10(14)15)9(13-6)7-2-3-11-4-7/h2-5,11H,1H3,(H,14,15)
InChIKeyOXYPJWKIEGTDBX-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

Analyze 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-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 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid (CID 82282573) is 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(-c2cc[nH]c2)n1.
What is the InChIKey of 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid?
The InChIKey is OXYPJWKIEGTDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-12-5-8(10(14)15)9(13-6)7-2-3-11-4-7/h2-5,11H,1H3,(H,14,15).
What are the key properties of 2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid?
2-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-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-methyl-4-(1H-pyrrol-3-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82282573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).