6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C12H17N3O2S — CID 7748227

IUPAC6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCSc1nc(C)cc(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-9-7-10(16)15(12(13-9)18-2)8-11(17)14-5-3-4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyNCYBYHUJZQMWLD-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.90
Rot. Bonds3

About 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 7748227) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID7748227
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCSc1nc(C)cc(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-9-7-10(16)15(12(13-9)18-2)8-11(17)14-5-3-4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyNCYBYHUJZQMWLD-UHFFFAOYSA-N
XLogP0.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 7748620
2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7748216
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
ethyl 2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748156
2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone
CID 6620932
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748095
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-methyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748804
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 41106928

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 7748227) is 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is CSc1nc(C)cc(=O)n1CC(=O)N1CCCC1.
What is the InChIKey of 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is NCYBYHUJZQMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-10(16)15(12(13-9)18-2)8-11(17)14-5-3-4-6-14/h7H,3-6,8H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 267.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 7748227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).