6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid

C11H11N3O2S — CID 82169824

IUPAC6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C11H11N3O2S/c1-2-12-9-6-7(11(15)16)13-10(14-9)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,15,16)(H,12,13,14)
InChIKeySVZDJNSZHKWHKN-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.34
Rot. Bonds4

About 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid

6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 82169824) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID82169824
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C11H11N3O2S/c1-2-12-9-6-7(11(15)16)13-10(14-9)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,15,16)(H,12,13,14)
InChIKeySVZDJNSZHKWHKN-UHFFFAOYSA-N
XLogP2.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(ethylamino)-2-thiophen-2-ylpyrimidine-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

Related Compounds

6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169719
6-methylsulfanyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 116862441
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
CID 82169792
6-(ethylamino)-2-(methylsulfanylmethyl)pyrimidine-4-carboxylic acid
CID 82169840
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169857
1-(3-thiophen-2-yl-1,2,4-triazin-5-yl)butan-1-one
CID 121219732
N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
CID 139202565
N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 166362743

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 82169824) is 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid is CCNc1cc(C(=O)O)nc(-c2cccs2)n1.
What is the InChIKey of 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is SVZDJNSZHKWHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-12-9-6-7(11(15)16)13-10(14-9)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).