2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid

C13H13N3O2S — CID 113387731

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N(Cc2cccs2)C2CC2)nc1
InChIInChI=1S/C13H13N3O2S/c17-12(18)9-6-14-13(15-7-9)16(10-3-4-10)8-11-2-1-5-19-11/h1-2,5-7,10H,3-4,8H2,(H,17,18)
InChIKeyZNVYXGIWMBIYIU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.41
Rot. Bonds5

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid

2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 113387731) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
PubChem CID113387731
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N(Cc2cccs2)C2CC2)nc1
InChIInChI=1S/C13H13N3O2S/c17-12(18)9-6-14-13(15-7-9)16(10-3-4-10)8-11-2-1-5-19-11/h1-2,5-7,10H,3-4,8H2,(H,17,18)
InChIKeyZNVYXGIWMBIYIU-UHFFFAOYSA-N
XLogP2.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl(thiophen-2-ylmethyl)amino]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

Related Compounds

4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 114888164
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133350945
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62863221
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766335
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134004580
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid (CID 113387731) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid is O=C(O)c1cnc(N(Cc2cccs2)C2CC2)nc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is ZNVYXGIWMBIYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-12(18)9-6-14-13(15-7-9)16(10-3-4-10)8-11-2-1-5-19-11/h1-2,5-7,10H,3-4,8H2,(H,17,18).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 113387731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).