2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide

C20H19N3O2S — CID 7748819

IUPAC2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
SMILESNC(=O)Cn1c(SCCc2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C20H19N3O2S/c21-18(24)14-23-19(25)13-17(16-9-5-2-6-10-16)22-20(23)26-12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H2,21,24)
InChIKeyYTTMVWGTTHPSNV-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.73
Rot. Bonds7

About 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide

2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide (PubChem CID 7748819) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
PubChem CID7748819
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
SMILESNC(=O)Cn1c(SCCc2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C20H19N3O2S/c21-18(24)14-23-19(25)13-17(16-9-5-2-6-10-16)22-20(23)26-12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H2,21,24)
InChIKeyYTTMVWGTTHPSNV-UHFFFAOYSA-N
XLogP2.73
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)methyl]-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748815
3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748818
2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7748800
2-benzylsulfanyl-3-[(2-chlorophenyl)methyl]-6-phenylpyrimidin-4-one
CID 7748642
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748810
N-(2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748780
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-methyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748804
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748698
3-methyl-6-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidin-4-one
CID 118733209
3-[(4-methylphenyl)methyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one
CID 7748253
3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine
CID 7730055
2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5303485

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide (CID 7748819) is 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide is NC(=O)Cn1c(SCCc2ccccc2)nc(-c2ccccc2)cc1=O.
What is the InChIKey of 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
The InChIKey is YTTMVWGTTHPSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c21-18(24)14-23-19(25)13-17(16-9-5-2-6-10-16)22-20(23)26-12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H2,21,24).
What are the key properties of 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 7748819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).