4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid

C9H9N5O2 — CID 116640834

IUPAC4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid
SMILESCn1cncc1-c1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C9H9N5O2/c1-14-4-11-3-6(14)8-12-2-5(9(15)16)7(10)13-8/h2-4H,1H3,(H,15,16)(H2,10,12,13)
InChIKeySHXDUABINKAKFR-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.16
Rot. Bonds2

About 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid

4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid (PubChem CID 116640834) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid
PubChem CID116640834
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid
SMILESCn1cncc1-c1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C9H9N5O2/c1-14-4-11-3-6(14)8-12-2-5(9(15)16)7(10)13-8/h2-4H,1H3,(H,15,16)(H2,10,12,13)
InChIKeySHXDUABINKAKFR-UHFFFAOYSA-N
XLogP0.16
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(3-methylimidazol-4-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 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid (CID 116640834) is 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid is Cn1cncc1-c1ncc(C(=O)O)c(N)n1.
What is the InChIKey of 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid?
The InChIKey is SHXDUABINKAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-4-11-3-6(14)8-12-2-5(9(15)16)7(10)13-8/h2-4H,1H3,(H,15,16)(H2,10,12,13).
What are the key properties of 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid?
4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).