2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide

C8H11ClN4OS — CID 1482488

IUPAC2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc(N)nc(C)c1Cl
InChIInChI=1S/C8H11ClN4OS/c1-4-6(9)7(13-8(10)12-4)15-3-5(14)11-2/h3H2,1-2H3,(H,11,14)(H2,10,12,13)
InChIKeyYUVSORWPLPPLRP-UHFFFAOYSA-N
MW246.72 g/mol
LogP0.86
Rot. Bonds3

About 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide

2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide (PubChem CID 1482488) has the molecular formula C8H11ClN4OS and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide
PubChem CID1482488
Molecular FormulaC8H11ClN4OS
Molecular Weight246.72 g/mol
Exact Mass246.03
IUPAC Name2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc(N)nc(C)c1Cl
InChIInChI=1S/C8H11ClN4OS/c1-4-6(9)7(13-8(10)12-4)15-3-5(14)11-2/h3H2,1-2H3,(H,11,14)(H2,10,12,13)
InChIKeyYUVSORWPLPPLRP-UHFFFAOYSA-N
XLogP0.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide (CID 1482488) is 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide is CNC(=O)CSc1nc(N)nc(C)c1Cl.
What is the InChIKey of 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
The InChIKey is YUVSORWPLPPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4OS/c1-4-6(9)7(13-8(10)12-4)15-3-5(14)11-2/h3H2,1-2H3,(H,11,14)(H2,10,12,13).
What are the key properties of 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide has a molecular weight of 246.72 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 1482488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).