1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone

C8H11N3OS — CID 10878101

IUPAC1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone
SMILESCSc1nc(N)nc(C)c1C(C)=O
InChIInChI=1S/C8H11N3OS/c1-4-6(5(2)12)7(13-3)11-8(9)10-4/h1-3H3,(H2,9,10,11)
InChIKeyKUEOXZREMJPMCQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.29
Rot. Bonds2

About 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone

1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone (PubChem CID 10878101) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone
PubChem CID10878101
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone
SMILESCSc1nc(N)nc(C)c1C(C)=O
InChIInChI=1S/C8H11N3OS/c1-4-6(5(2)12)7(13-3)11-8(9)10-4/h1-3H3,(H2,9,10,11)
InChIKeyKUEOXZREMJPMCQ-UHFFFAOYSA-N
XLogP1.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone (CID 10878101) is 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone is CSc1nc(N)nc(C)c1C(C)=O.
What is the InChIKey of 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone?
The InChIKey is KUEOXZREMJPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-4-6(5(2)12)7(13-3)11-8(9)10-4/h1-3H3,(H2,9,10,11).
What are the key properties of 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone?
1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone has a molecular weight of 197.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-6-methylsulfanylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 10878101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).