1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one

C8H12N2O3S — CID 25147405

IUPAC1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one
SMILESCSc1ccn(CC(O)CO)c(=O)n1
InChIInChI=1S/C8H12N2O3S/c1-14-7-2-3-10(8(13)9-7)4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3
InChIKeyROPCLNBZIRPLGQ-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.68
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one

1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one (PubChem CID 25147405) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one
PubChem CID25147405
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one
SMILESCSc1ccn(CC(O)CO)c(=O)n1
InChIInChI=1S/C8H12N2O3S/c1-14-7-2-3-10(8(13)9-7)4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3
InChIKeyROPCLNBZIRPLGQ-UHFFFAOYSA-N
XLogP-0.68
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
CID 58922325
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
3-(2,3-dihydroxypropyl)-2-methyl-6-methylsulfanylpyrimidin-4-one
CID 86000996
1-[(2R)-2,3-dihydroxypropyl]pyrimidin-2-one
CID 130130720
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
1-(3-bromo-2-hydroxypropyl)-4-ethoxypyrimidin-2-one
CID 71390816
1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
CID 20688190
3-(6-amino-4-methylsulfanylindol-1-yl)propane-1,2-diol
CID 82849601
4-amino-1-(5-amino-3,4,6-trihydroxy-2-methylhexyl)pyrimidin-2-one
CID 123396740
1-[1-(2,3-dihydroxypropyl)-2-methylpyrrol-3-yl]ethanone
CID 84616703

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one (CID 25147405) is 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one is CSc1ccn(CC(O)CO)c(=O)n1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one?
The InChIKey is ROPCLNBZIRPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-14-7-2-3-10(8(13)9-7)4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one?
1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one has a molecular weight of 216.26 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one is sourced from PubChem (CID 25147405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).