2-aminopyrimidine-4-carboxylate

C5H4N3O2- — CID 25202150

IUPAC2-aminopyrimidine-4-carboxylate
SMILESNc1nccc(C(=O)[O-])n1
InChIInChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)/p-1
InChIKeyGKFPFLBDQJVJIH-UHFFFAOYSA-M
MW138.11 g/mol
LogP-1.58
Rot. Bonds1

About 2-aminopyrimidine-4-carboxylate

2-aminopyrimidine-4-carboxylate (PubChem CID 25202150) has the molecular formula C5H4N3O2- and a molecular weight of 138.11 g/mol. Its IUPAC name is 2-aminopyrimidine-4-carboxylate.

Molecular Properties

Compound Name2-aminopyrimidine-4-carboxylate
PubChem CID25202150
Molecular FormulaC5H4N3O2-
Molecular Weight138.11 g/mol
Exact Mass138.03
IUPAC Name2-aminopyrimidine-4-carboxylate
SMILESNc1nccc(C(=O)[O-])n1
InChIInChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)/p-1
InChIKeyGKFPFLBDQJVJIH-UHFFFAOYSA-M
XLogP-1.58
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-aminopyrimidine-4-carboxylate 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-aminopyrimidine-4-carboxylate?
The IUPAC name of 2-aminopyrimidine-4-carboxylate (CID 25202150) is 2-aminopyrimidine-4-carboxylate.
What is the SMILES notation for 2-aminopyrimidine-4-carboxylate?
The canonical SMILES for 2-aminopyrimidine-4-carboxylate is Nc1nccc(C(=O)[O-])n1.
What is the InChIKey of 2-aminopyrimidine-4-carboxylate?
The InChIKey is GKFPFLBDQJVJIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)/p-1.
What are the key properties of 2-aminopyrimidine-4-carboxylate?
2-aminopyrimidine-4-carboxylate has a molecular weight of 138.11 g/mol, XLogP of -1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrimidine-4-carboxylate is sourced from PubChem (CID 25202150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).