5-(aminomethyl)pyrimidine-2-carboxylic acid

C6H7N3O2 — CID 45082082

IUPAC5-(aminomethyl)pyrimidine-2-carboxylic acid
SMILESNCc1cnc(C(=O)O)nc1
InChIInChI=1S/C6H7N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,1,7H2,(H,10,11)
InChIKeyDEOPSUKINBEBCT-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.37
Rot. Bonds2

About 5-(aminomethyl)pyrimidine-2-carboxylic acid

5-(aminomethyl)pyrimidine-2-carboxylic acid (PubChem CID 45082082) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-(aminomethyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)pyrimidine-2-carboxylic acid
PubChem CID45082082
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name5-(aminomethyl)pyrimidine-2-carboxylic acid
SMILESNCc1cnc(C(=O)O)nc1
InChIInChI=1S/C6H7N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,1,7H2,(H,10,11)
InChIKeyDEOPSUKINBEBCT-UHFFFAOYSA-N
XLogP-0.37
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)pyrimidine-2-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 5-(aminomethyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)pyrimidine-2-carboxylic acid (CID 45082082) is 5-(aminomethyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)pyrimidine-2-carboxylic acid is NCc1cnc(C(=O)O)nc1.
What is the InChIKey of 5-(aminomethyl)pyrimidine-2-carboxylic acid?
The InChIKey is DEOPSUKINBEBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,1,7H2,(H,10,11).
What are the key properties of 5-(aminomethyl)pyrimidine-2-carboxylic acid?
5-(aminomethyl)pyrimidine-2-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 45082082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).