1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one

C12H14N4OS — CID 78986306

IUPAC1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
SMILESCc1cc(N)nc(SCCn2ccccc2=O)n1
InChIInChI=1S/C12H14N4OS/c1-9-8-10(13)15-12(14-9)18-7-6-16-5-3-2-4-11(16)17/h2-5,8H,6-7H2,1H3,(H2,13,14,15)
InChIKeyRIYLJJVFTHKMRT-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.32
Rot. Bonds4

About 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one

1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one (PubChem CID 78986306) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
PubChem CID78986306
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
SMILESCc1cc(N)nc(SCCn2ccccc2=O)n1
InChIInChI=1S/C12H14N4OS/c1-9-8-10(13)15-12(14-9)18-7-6-16-5-3-2-4-11(16)17/h2-5,8H,6-7H2,1H3,(H2,13,14,15)
InChIKeyRIYLJJVFTHKMRT-UHFFFAOYSA-N
XLogP1.32
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one (CID 78986306) is 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one is Cc1cc(N)nc(SCCn2ccccc2=O)n1.
What is the InChIKey of 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
The InChIKey is RIYLJJVFTHKMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-9-8-10(13)15-12(14-9)18-7-6-16-5-3-2-4-11(16)17/h2-5,8H,6-7H2,1H3,(H2,13,14,15).
What are the key properties of 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one has a molecular weight of 262.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 78986306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).