N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C13H15N5OS — CID 888739

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)CSc2nccc(C)n2)n1
InChIInChI=1S/C13H15N5OS/c1-8-4-5-14-13(17-8)20-7-11(19)18-12-15-9(2)6-10(3)16-12/h4-6H,7H2,1-3H3,(H,15,16,18,19)
InChIKeyMWTCIJZLOPWLHX-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.92
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 888739) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID888739
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)CSc2nccc(C)n2)n1
InChIInChI=1S/C13H15N5OS/c1-8-4-5-14-13(17-8)20-7-11(19)18-12-15-9(2)6-10(3)16-12/h4-6H,7H2,1-3H3,(H,15,16,18,19)
InChIKeyMWTCIJZLOPWLHX-UHFFFAOYSA-N
XLogP1.92
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 888739) is N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(NC(=O)CSc2nccc(C)n2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is MWTCIJZLOPWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8-4-5-14-13(17-8)20-7-11(19)18-12-15-9(2)6-10(3)16-12/h4-6H,7H2,1-3H3,(H,15,16,18,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 289.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 888739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).