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

C10H9N3O2S — CID 82169719

IUPAC6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C10H9N3O2S/c1-11-8-5-6(10(14)15)12-9(13-8)7-3-2-4-16-7/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeySOYHSKQABNQWMA-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.95
Rot. Bonds3

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

6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 82169719) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID82169719
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C10H9N3O2S/c1-11-8-5-6(10(14)15)12-9(13-8)7-3-2-4-16-7/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeySOYHSKQABNQWMA-UHFFFAOYSA-N
XLogP1.95
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169824
6-methylsulfanyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 116862441
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952028
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 117088125
N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
CID 139202565
2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide
CID 59840919
4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76848051
2-[(3-ethylphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169750
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62167624
1-(3-thiophen-2-yl-1,2,4-triazin-5-yl)butan-1-one
CID 121219732

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 82169719) is 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid is CNc1cc(C(=O)O)nc(-c2cccs2)n1.
What is the InChIKey of 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is SOYHSKQABNQWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-11-8-5-6(10(14)15)12-9(13-8)7-3-2-4-16-7/h2-5H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).