5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one

C5H8N2OS — CID 123506307

IUPAC5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one
SMILESCC1C=NC(S)NC1=O
InChIInChI=1S/C5H8N2OS/c1-3-2-6-5(9)7-4(3)8/h2-3,5,9H,1H3,(H,7,8)
InChIKeyAKXLTWZYMYZJIB-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.04
Rot. Bonds

About 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one

5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one (PubChem CID 123506307) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one
PubChem CID123506307
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one
SMILESCC1C=NC(S)NC1=O
InChIInChI=1S/C5H8N2OS/c1-3-2-6-5(9)7-4(3)8/h2-3,5,9H,1H3,(H,7,8)
InChIKeyAKXLTWZYMYZJIB-UHFFFAOYSA-N
XLogP0.04
TPSA41.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methyl-2,5-dihydro-1H-pyridin-6-one
CID 163931922
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5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one
CID 90731688
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3-sulfanyl-3,4-dihydro-1,2,4-triazol-5-one
CID 170923467
4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-one;yttrium
CID 158063163
5-methyl-1-(sulfanylmethyl)imidazolidine-2,4-dione
CID 141156271
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptazacyclohenicos-19-ene-2,5,8,11,14,17-hexone;20-hydroxy-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16-hexazacyclohenicosane-2,5,8,11,14,17-hexone
CID 162082168
5-methyl-1-sulfanylimidazolidine-2,4-dione
CID 141156272
(5S)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 10057538
5-methyl-1,3-thiazol-4-one
CID 15764503

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one (CID 123506307) is 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one is CC1C=NC(S)NC1=O.
What is the InChIKey of 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is AKXLTWZYMYZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-3-2-6-5(9)7-4(3)8/h2-3,5,9H,1H3,(H,7,8).
What are the key properties of 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one?
5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 144.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 123506307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).