2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide

C19H23N3O2S — CID 135410547

IUPAC2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESCc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-13-16(11-14-7-3-2-4-8-14)18(24)22-19(20-13)25-12-17(23)21-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyZXBFJVVNDNAJLD-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.82
Rot. Bonds6

About 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide

2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 135410547) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID135410547
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESCc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-13-16(11-14-7-3-2-4-8-14)18(24)22-19(20-13)25-12-17(23)21-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyZXBFJVVNDNAJLD-UHFFFAOYSA-N
XLogP2.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide (CID 135410547) is 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide is Cc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1Cc1ccccc1.
What is the InChIKey of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is ZXBFJVVNDNAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-16(11-14-7-3-2-4-8-14)18(24)22-19(20-13)25-12-17(23)21-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 357.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 135410547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).