(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide

C21H21N3O3S — CID 135910083

IUPAC(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide
SMILESCc1nc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)[nH]c(=O)c1CCO
InChIInChI=1S/C21H21N3O3S/c1-14-17(12-13-25)19(26)24-21(22-14)28-18(15-8-4-2-5-9-15)20(27)23-16-10-6-3-7-11-16/h2-11,18,25H,12-13H2,1H3,(H,23,27)(H,22,24,26)/t18-/m1/s1
InChIKeyOFVKGFVYOIRXSD-GOSISDBHSA-N
MW395.48 g/mol
LogP3.09
Rot. Bonds7

About (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide

(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide (PubChem CID 135910083) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide
PubChem CID135910083
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide
SMILESCc1nc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)[nH]c(=O)c1CCO
InChIInChI=1S/C21H21N3O3S/c1-14-17(12-13-25)19(26)24-21(22-14)28-18(15-8-4-2-5-9-15)20(27)23-16-10-6-3-7-11-16/h2-11,18,25H,12-13H2,1H3,(H,23,27)(H,22,24,26)/t18-/m1/s1
InChIKeyOFVKGFVYOIRXSD-GOSISDBHSA-N
XLogP3.09
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide with MolForge

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Related Compounds

2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
CID 136616702
N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide
CID 135502847
N-(4-ethylphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713659
N-(2,6-diethylphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135667120
2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 135713676
N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616709
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 135905937
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713711
2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616661
(2S)-N-(3-acetylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
CID 135794417
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide?
The IUPAC name of (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide (CID 135910083) is (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide.
What is the SMILES notation for (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide?
The canonical SMILES for (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide is Cc1nc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)[nH]c(=O)c1CCO.
What is the InChIKey of (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide?
The InChIKey is OFVKGFVYOIRXSD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-17(12-13-25)19(26)24-21(22-14)28-18(15-8-4-2-5-9-15)20(27)23-16-10-6-3-7-11-16/h2-11,18,25H,12-13H2,1H3,(H,23,27)(H,22,24,26)/t18-/m1/s1.
What are the key properties of (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide?
(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide has a molecular weight of 395.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide is sourced from PubChem (CID 135910083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).