N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide

C13H14N4OS — CID 888679

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)CSc2ccccn2)n1
InChIInChI=1S/C13H14N4OS/c1-9-7-10(2)16-13(15-9)17-11(18)8-19-12-5-3-4-6-14-12/h3-7H,8H2,1-2H3,(H,15,16,17,18)
InChIKeyCOGHQOSEMMOJPI-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.22
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 888679) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID888679
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)CSc2ccccn2)n1
InChIInChI=1S/C13H14N4OS/c1-9-7-10(2)16-13(15-9)17-11(18)8-19-12-5-3-4-6-14-12/h3-7H,8H2,1-2H3,(H,15,16,17,18)
InChIKeyCOGHQOSEMMOJPI-UHFFFAOYSA-N
XLogP2.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]sulfanyl}acetic acid
CID 1475721
2-Amino-5-thio-substituted thiazole 61
CID 5329697
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
CID 6896559
2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]-N-phenylacetamide
CID 665238
N1-(4-methyl-2-pyridyl)-2-(2-pyridylthio)acetamide
CID 2803820
N-phenyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 668614
4-Methyl-2-pyrimidinyl 2-oxo-2-(4-phenyl-1-piperazinyl)ethyl sulfide
CID 851620
N-(5-bromopyridin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 934679
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}acetamide
CID 2196065
2-{[6-methyl-2-(methylthio)-4-pyrimidinyl]thio}-N-phenylacetamide
CID 2217946
3-(phenylthio)-N-2-pyrimidinylpropanamide
CID 2231493
N-(5-chloropyridin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide
CID 2890968

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide (CID 888679) is N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide is Cc1cc(C)nc(NC(=O)CSc2ccccn2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is COGHQOSEMMOJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-7-10(2)16-13(15-9)17-11(18)8-19-12-5-3-4-6-14-12/h3-7H,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 888679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).