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

C14H15N3O2S — CID 7183928

IUPACN-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)NCc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C14H15N3O2S/c1-10-7-13(17-14(19)16-10)20-9-12(18)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyAYRFSUJUBSZQEO-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.49
Rot. Bonds5

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

N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 7183928) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID7183928
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)NCc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C14H15N3O2S/c1-10-7-13(17-14(19)16-10)20-9-12(18)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyAYRFSUJUBSZQEO-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
N-(4-fluorobenzyl)-2-((2-oxo-1,2-dihydropyrimidin-4-yl)thio)acetamide
CID 7183857
N-benzyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256647
N-benzyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259015
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 7259191
N-benzyl-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259321
N-benzyl-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)thio]acetamide
CID 135402510
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183929
N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185321
N-[(4-methylphenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
CID 7185415
N-benzyl-2-((1-(2-(dimethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 7587791
N-[(4-methylphenyl)methyl]-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256652

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (CID 7183928) is N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is Cc1cc(SCC(=O)NCc2ccccc2)nc(=O)[nH]1.
What is the InChIKey of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is AYRFSUJUBSZQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-7-13(17-14(19)16-10)20-9-12(18)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7183928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).