3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide

C11H12N4OS — CID 61093141

IUPAC3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2sccc2N)n1
InChIInChI=1S/C11H12N4OS/c1-6-5-7(2)14-11(13-6)15-10(16)9-8(12)3-4-17-9/h3-5H,12H2,1-2H3,(H,13,14,15,16)
InChIKeyMUBKFKJOXOYKSR-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.99
Rot. Bonds2

About 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide

3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 61093141) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID61093141
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2sccc2N)n1
InChIInChI=1S/C11H12N4OS/c1-6-5-7(2)14-11(13-6)15-10(16)9-8(12)3-4-17-9/h3-5H,12H2,1-2H3,(H,13,14,15,16)
InChIKeyMUBKFKJOXOYKSR-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide (CID 61093141) is 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide is Cc1cc(C)nc(NC(=O)c2sccc2N)n1.
What is the InChIKey of 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is MUBKFKJOXOYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-5-7(2)14-11(13-6)15-10(16)9-8(12)3-4-17-9/h3-5H,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61093141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).