2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

C18H21N3O3S — CID 7748620

IUPAC2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCOCC2)c(SCc2ccccc2)n1
InChIInChI=1S/C18H21N3O3S/c1-14-11-16(22)21(12-17(23)20-7-9-24-10-8-20)18(19-14)25-13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3
InChIKeyQNLROWFISZCZQA-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.70
Rot. Bonds5

About 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (PubChem CID 7748620) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
PubChem CID7748620
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCOCC2)c(SCc2ccccc2)n1
InChIInChI=1S/C18H21N3O3S/c1-14-11-16(22)21(12-17(23)20-7-9-24-10-8-20)18(19-14)25-13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3
InChIKeyQNLROWFISZCZQA-UHFFFAOYSA-N
XLogP1.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-benzylsulfanyl-1-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidine-5-carboxylate
CID 7748722
2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 7748580
6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 7748227
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-methyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748804
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
CID 7386765
1-(4-benzylpiperazin-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone
CID 4046484
3-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 3872635
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
3-benzhydryl-2-benzylsulfanyl-6-methylpyrimidin-4-one
CID 7748571
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 9145896

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The IUPAC name of 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (CID 7748620) is 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.
What is the SMILES notation for 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The canonical SMILES for 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCOCC2)c(SCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The InChIKey is QNLROWFISZCZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-11-16(22)21(12-17(23)20-7-9-24-10-8-20)18(19-14)25-13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is sourced from PubChem (CID 7748620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).