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

C13H15N3O2S — CID 40571674

IUPAC2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
SMILESC[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2)=N1
InChIInChI=1S/C13H15N3O2S/c1-9-7-11(17)16-13(14-9)19-8-12(18)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,14,16,17)/t9-/m1/s1
InChIKeyFZVNZEXFSBEOCW-SECBINFHSA-N
MW277.35 g/mol
LogP1.62
Rot. Bonds3

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

2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 40571674) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID40571674
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
SMILESC[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2)=N1
InChIInChI=1S/C13H15N3O2S/c1-9-7-11(17)16-13(14-9)19-8-12(18)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,14,16,17)/t9-/m1/s1
InChIKeyFZVNZEXFSBEOCW-SECBINFHSA-N
XLogP1.62
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 4081638
N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 6554448
S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 2-phenylethanethioate
CID 40642590
N-[3-(dimethylamino)propyl]-2-[(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 4065657
(4R)-4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
CID 40640677
ethyl (4S)-2-(2-anilino-2-oxoethyl)sulfanyl-4-(2-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 124531650
(4R)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 40617400
2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
CID 2876005
2-[[(4R)-5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
CID 2213430
2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
CID 1108592
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
CID 110462621

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide (CID 40571674) is 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide is C[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2)=N1.
What is the InChIKey of 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is FZVNZEXFSBEOCW-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-7-11(17)16-13(14-9)19-8-12(18)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,14,16,17)/t9-/m1/s1.
What are the key properties of 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 40571674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).