N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide

C12H13N3OS — CID 646401

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1cc(C)nc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C12H13N3OS/c1-8-6-9(2)14-12(13-8)15-11(16)7-10-4-3-5-17-10/h3-6H,7H2,1-2H3,(H,13,14,15,16)
InChIKeyMNSBXORGJMKKNZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.34
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 646401) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide
PubChem CID646401
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1cc(C)nc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C12H13N3OS/c1-8-6-9(2)14-12(13-8)15-11(16)7-10-4-3-5-17-10/h3-6H,7H2,1-2H3,(H,13,14,15,16)
InChIKeyMNSBXORGJMKKNZ-UHFFFAOYSA-N
XLogP2.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-{2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl}-2-thiophenecarbohydrazide
CID 1258496
N-(6-methylpyridin-2-yl)thiophene-2-carboxamide
CID 573775
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)acetamide
CID 50940965
N-(4,6-dimethylpyridin-2-yl)thiophene-2-carboxamide
CID 765266
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 645574
N-[(6-methylpyridin-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 817345
N-(6-methyl-2-pyridinyl)-3-(2-thienyl)acrylamide
CID 903282
N-(4,6-di(thiophen-3-yl)pyrimidin-2-yl)butyramide
CID 44203644
N-(4,6-di(thiophen-3-yl)pyrimidin-2-yl)propionamide
CID 50940932
N-(4,6-di(thiophen-2-yl)pyrimidin-2-yl)butyramide
CID 50940944
N-2,6-dithiophen-3-yl)pyrimidin-4-yl)acetamide
CID 50940967
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)propionamide
CID 50940979

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide (CID 646401) is N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide is Cc1cc(C)nc(NC(=O)Cc2cccs2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is MNSBXORGJMKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-6-9(2)14-12(13-8)15-11(16)7-10-4-3-5-17-10/h3-6H,7H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 247.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 646401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).