1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

C11H10N6OS — CID 103331176

IUPAC1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(N)nc3sccc23)n1
InChIInChI=1S/C11H10N6OS/c1-13-9(18)7-2-4-17(16-7)8-6-3-5-19-10(6)15-11(12)14-8/h2-5H,1H3,(H,13,18)(H2,12,14,15)
InChIKeyFQHLFMMBKRHXHZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.82
Rot. Bonds2

About 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 103331176) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
PubChem CID103331176
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(N)nc3sccc23)n1
InChIInChI=1S/C11H10N6OS/c1-13-9(18)7-2-4-17(16-7)8-6-3-5-19-10(6)15-11(12)14-8/h2-5H,1H3,(H,13,18)(H2,12,14,15)
InChIKeyFQHLFMMBKRHXHZ-UHFFFAOYSA-N
XLogP0.82
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
CID 103335990
1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
CID 103331174
1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 113317014
1-(5-amino-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64782073
1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 79073921
4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331134
1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 80868849
1-(2-amino-4-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64782075
1-(3-carbamothioyl-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64780765
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 103325838
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
CID 80988908

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (CID 103331176) is 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2nc(N)nc3sccc23)n1.
What is the InChIKey of 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is FQHLFMMBKRHXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS/c1-13-9(18)7-2-4-17(16-7)8-6-3-5-19-10(6)15-11(12)14-8/h2-5H,1H3,(H,13,18)(H2,12,14,15).
What are the key properties of 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103331176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).