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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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).