2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

C15H17N3O2S — CID 7183972

IUPAC2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2cc(C)[nH]c(=O)n2)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-3-5-12(6-4-10)8-16-13(19)9-21-14-7-11(2)17-15(20)18-14/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyPYVNKFXKJHERGY-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.80
Rot. Bonds5

About 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 7183972) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID7183972
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2cc(C)[nH]c(=O)n2)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-3-5-12(6-4-10)8-16-13(19)9-21-14-7-11(2)17-15(20)18-14/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyPYVNKFXKJHERGY-UHFFFAOYSA-N
XLogP1.80
TPSA74.85 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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 7183972) is 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2cc(C)[nH]c(=O)n2)cc1.
What is the InChIKey of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PYVNKFXKJHERGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-3-5-12(6-4-10)8-16-13(19)9-21-14-7-11(2)17-15(20)18-14/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7183972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).