6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid

C9H5Cl2N3O2S — CID 58291660

IUPAC6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid
SMILESNc1nc(-c2ccc(Cl)s2)nc(C(=O)O)c1Cl
InChIInChI=1S/C9H5Cl2N3O2S/c10-4-2-1-3(17-4)8-13-6(9(15)16)5(11)7(12)14-8/h1-2H,(H,15,16)(H2,12,13,14)
InChIKeyYHBXUHNKLGCBAG-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.79
Rot. Bonds2

About 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid

6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid (PubChem CID 58291660) has the molecular formula C9H5Cl2N3O2S and a molecular weight of 290.13 g/mol. Its IUPAC name is 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid
PubChem CID58291660
Molecular FormulaC9H5Cl2N3O2S
Molecular Weight290.13 g/mol
Exact Mass288.95
IUPAC Name6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid
SMILESNc1nc(-c2ccc(Cl)s2)nc(C(=O)O)c1Cl
InChIInChI=1S/C9H5Cl2N3O2S/c10-4-2-1-3(17-4)8-13-6(9(15)16)5(11)7(12)14-8/h1-2H,(H,15,16)(H2,12,13,14)
InChIKeyYHBXUHNKLGCBAG-UHFFFAOYSA-N
XLogP2.79
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)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

Related Compounds

6-Amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
CID 66954420
4-Amino-5-chloro-2,6-dimethylpyrimidine-5-chlorothiophene-2-carboxylic acid (1/1)
CID 139062732
Methyl 5-chloro-6-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-2-cyclopropylpyrimidine-4-carboxylate
CID 58220680
Methyl 5-chloro-2-(5-chlorothiophen-2-yl)-6-(cyclopropylamino)pyrimidine-4-carboxylate
CID 58220687
Methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate
CID 58291682
Methyl 2-(5-acetylthiophen-2-yl)-6-amino-5-chloropyrimidine-4-carboxylate
CID 58291703
4-Amino-2-thiophen-2-ylpyrimidine-6-carboxylic acid
CID 58291707
6-Chloro-2-(thiophen-2-YL)pyrimidine-4-carboxylic acid
CID 58291709
Methyl 6-amino-5-chloro-2-(5-isocyanothiophen-2-yl)pyrimidine-4-carboxylate
CID 58291717
4-Amino-5-chloro-2-(5-chlorothiophen-2-yl)-6-ethoxycarbonylpyrimidine
CID 58291727
Methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate
CID 58291731
Methyl 6-amino-5-chloro-2-thiophen-2-ylpyrimidine-4-carboxylate
CID 58291745

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid (CID 58291660) is 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid is Nc1nc(-c2ccc(Cl)s2)nc(C(=O)O)c1Cl.
What is the InChIKey of 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid?
The InChIKey is YHBXUHNKLGCBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O2S/c10-4-2-1-3(17-4)8-13-6(9(15)16)5(11)7(12)14-8/h1-2H,(H,15,16)(H2,12,13,14).
What are the key properties of 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid?
6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid has a molecular weight of 290.13 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58291660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).