2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid

C9H11N3O2 — CID 84664586

IUPAC2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC2CC2)n1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-8(12-7)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2,(H,13,14)
InChIKeyCHQPMMOJQLUQIQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.43
Rot. Bonds4

About 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid

2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid (PubChem CID 84664586) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
PubChem CID84664586
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC2CC2)n1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-8(12-7)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2,(H,13,14)
InChIKeyCHQPMMOJQLUQIQ-UHFFFAOYSA-N
XLogP0.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(cyclopropylamino)methyl]pyrimidine-4-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 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid (CID 84664586) is 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(CNC2CC2)n1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is CHQPMMOJQLUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-8(12-7)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2,(H,13,14).
What are the key properties of 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid?
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 84664586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).