4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid

C8H6N4O2 — CID 89372882

IUPAC4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid
SMILESNc1ncnc2c(C(=O)O)ccnc12
InChIInChI=1S/C8H6N4O2/c9-7-6-5(11-3-12-7)4(8(13)14)1-2-10-6/h1-3H,(H,13,14)(H2,9,11,12)
InChIKeyJKJHJDUKZLRGON-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.31
Rot. Bonds1

About 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid

4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid (PubChem CID 89372882) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid
PubChem CID89372882
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid
SMILESNc1ncnc2c(C(=O)O)ccnc12
InChIInChI=1S/C8H6N4O2/c9-7-6-5(11-3-12-7)4(8(13)14)1-2-10-6/h1-3H,(H,13,14)(H2,9,11,12)
InChIKeyJKJHJDUKZLRGON-UHFFFAOYSA-N
XLogP0.31
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-aminopyrido[3,2-d]pyrimidine-8-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-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid?
The IUPAC name of 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid (CID 89372882) is 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid?
The canonical SMILES for 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid is Nc1ncnc2c(C(=O)O)ccnc12.
What is the InChIKey of 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid?
The InChIKey is JKJHJDUKZLRGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-7-6-5(11-3-12-7)4(8(13)14)1-2-10-6/h1-3H,(H,13,14)(H2,9,11,12).
What are the key properties of 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid?
4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrido[3,2-d]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 89372882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).