N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C9H13N3OS — CID 839265

IUPACN,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)N(C)C)n1
InChIInChI=1S/C9H13N3OS/c1-7-4-5-10-9(11-7)14-6-8(13)12(2)3/h4-5H,6H2,1-3H3
InChIKeyJPICUKQGANKSSM-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.97
Rot. Bonds3

About N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 839265) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID839265
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)N(C)C)n1
InChIInChI=1S/C9H13N3OS/c1-7-4-5-10-9(11-7)14-6-8(13)12(2)3/h4-5H,6H2,1-3H3
InChIKeyJPICUKQGANKSSM-UHFFFAOYSA-N
XLogP0.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 839265) is N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JPICUKQGANKSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-4-5-10-9(11-7)14-6-8(13)12(2)3/h4-5H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 211.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 839265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).