2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide

C15H17N3O2S — CID 136616661

IUPAC2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
SMILESCc1nc(SC(C)c2ccccc2)[nH]c(=O)c1CC(N)=O
InChIInChI=1S/C15H17N3O2S/c1-9-12(8-13(16)19)14(20)18-15(17-9)21-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeySPJOYSQZHQIQNC-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.96
Rot. Bonds5

About 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide

2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide (PubChem CID 136616661) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
PubChem CID136616661
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
SMILESCc1nc(SC(C)c2ccccc2)[nH]c(=O)c1CC(N)=O
InChIInChI=1S/C15H17N3O2S/c1-9-12(8-13(16)19)14(20)18-15(17-9)21-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeySPJOYSQZHQIQNC-UHFFFAOYSA-N
XLogP1.96
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide (CID 136616661) is 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide is Cc1nc(SC(C)c2ccccc2)[nH]c(=O)c1CC(N)=O.
What is the InChIKey of 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide?
The InChIKey is SPJOYSQZHQIQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-12(8-13(16)19)14(20)18-15(17-9)21-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H2,16,19)(H,17,18,20).
What are the key properties of 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide?
2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 136616661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).