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

C12H13N5OS — CID 951221

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)CSc2ncccn2)n1
InChIInChI=1S/C12H13N5OS/c1-8-6-9(2)16-11(15-8)17-10(18)7-19-12-13-4-3-5-14-12/h3-6H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyBWUIMYXMIGKDBD-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.61
Rot. Bonds4

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

N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 951221) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID951221
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)CSc2ncccn2)n1
InChIInChI=1S/C12H13N5OS/c1-8-6-9(2)16-11(15-8)17-10(18)7-19-12-13-4-3-5-14-12/h3-6H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyBWUIMYXMIGKDBD-UHFFFAOYSA-N
XLogP1.61
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.61
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-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 951221) is N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is Cc1cc(C)nc(NC(=O)CSc2ncccn2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is BWUIMYXMIGKDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-8-6-9(2)16-11(15-8)17-10(18)7-19-12-13-4-3-5-14-12/h3-6H,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 275.34 g/mol, XLogP of 1.61, 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-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 951221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).