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

C10H8ClN3O2S — CID 116862395

IUPAC2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClN3O2S/c1-12-8-4-5(10(15)16)13-9(14-8)6-2-3-7(11)17-6/h2-4H,1H3,(H,15,16)(H,12,13,14)
InChIKeyWTGMOEKGAUTZIA-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.60
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid (PubChem CID 116862395) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid
PubChem CID116862395
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClN3O2S/c1-12-8-4-5(10(15)16)13-9(14-8)6-2-3-7(11)17-6/h2-4H,1H3,(H,15,16)(H,12,13,14)
InChIKeyWTGMOEKGAUTZIA-UHFFFAOYSA-N
XLogP2.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-chloro-2,6-dimethylpyrimidine-5-chlorothiophene-2-carboxylic acid (1/1)
CID 139062732
2-[1-[5-(Trifluoromethyl)thiophen-2-yl]ethylamino]pyrimidine-4-carboxylic acid
CID 167957812
Methyl 5-chloro-2-(5-chlorothiophen-2-yl)-6-(cyclopropylamino)pyrimidine-4-carboxylate
CID 58220687
Methyl 5-chloro-2-cyclopropyl-6-(2-thiophen-2-ylethylamino)pyrimidine-4-carboxylate
CID 58220827
Methyl 5-chloro-2-cyclopropyl-6-(thiophen-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220922
4-Amino-5-chloro-2-(5-chlorothiophen-2-yl)-pyrimidine-6-carboxylic acid
CID 58291660
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid (CID 116862395) is 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid is CNc1cc(C(=O)O)nc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
The InChIKey is WTGMOEKGAUTZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-12-8-4-5(10(15)16)13-9(14-8)6-2-3-7(11)17-6/h2-4H,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid has a molecular weight of 269.71 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-6-(methylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 116862395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).