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

C9H7N3O3 — CID 116640817

IUPAC4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid
SMILESNc1nc(-c2ccoc2)ncc1C(=O)O
InChIInChI=1S/C9H7N3O3/c10-7-6(9(13)14)3-11-8(12-7)5-1-2-15-4-5/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyNBRBLRGRUICSNI-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.02
Rot. Bonds2

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

4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid (PubChem CID 116640817) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid
PubChem CID116640817
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid
SMILESNc1nc(-c2ccoc2)ncc1C(=O)O
InChIInChI=1S/C9H7N3O3/c10-7-6(9(13)14)3-11-8(12-7)5-1-2-15-4-5/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyNBRBLRGRUICSNI-UHFFFAOYSA-N
XLogP1.02
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(furan-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 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid (CID 116640817) is 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid is Nc1nc(-c2ccoc2)ncc1C(=O)O.
What is the InChIKey of 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid?
The InChIKey is NBRBLRGRUICSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-7-6(9(13)14)3-11-8(12-7)5-1-2-15-4-5/h1-4H,(H,13,14)(H2,10,11,12).
What are the key properties of 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid?
4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).