N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide

C15H15N3O2S — CID 2870744

IUPACN-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide
SMILESCSc1nc(-c2ccccc2)nc(NC(C)=O)c1C(C)=O
InChIInChI=1S/C15H15N3O2S/c1-9(19)12-14(16-10(2)20)17-13(18-15(12)21-3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,17,18,20)
InChIKeyFNELNZBWBDSTHI-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.03
Rot. Bonds4

About N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide

N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide (PubChem CID 2870744) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide
PubChem CID2870744
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide
SMILESCSc1nc(-c2ccccc2)nc(NC(C)=O)c1C(C)=O
InChIInChI=1S/C15H15N3O2S/c1-9(19)12-14(16-10(2)20)17-13(18-15(12)21-3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,17,18,20)
InChIKeyFNELNZBWBDSTHI-UHFFFAOYSA-N
XLogP3.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-Acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-YL]-2-methylpropanamide
CID 4067705
1-[4-Amino-6-(methylthio)-2-phenyl-5-pyrimidinyl]ethanone
CID 2834002
1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone
CID 766644
1-(4-Methylsulfanyl-6-morpholin-4-yl-2-phenylpyrimidin-5-yl)ethanone
CID 780203
N-benzyl-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CID 4372899
N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)acetamide
CID 873523
4-(methylsulfanyl)-2,7-diphenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 683953
1-[4-Amino-6-(benzylthio)-2-phenyl-5-pyrimidinyl]ethanone
CID 42560846
N-phenethyl-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CID 3522811
1-[4,6-Bis(methylthio)-2-phenyl-5-pyrimidinyl]ethanone
CID 672426
Cambridge id 5948728
CID 760990
N-benzyl-2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CID 7110300

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide?
The IUPAC name of N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide (CID 2870744) is N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide is CSc1nc(-c2ccccc2)nc(NC(C)=O)c1C(C)=O.
What is the InChIKey of N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide?
The InChIKey is FNELNZBWBDSTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9(19)12-14(16-10(2)20)17-13(18-15(12)21-3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,17,18,20).
What are the key properties of N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide?
N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide has a molecular weight of 301.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 2870744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).