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

C13H19N3O2S — CID 135561541

IUPACN-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-2-9-7-11(17)16-13(15-9)19-8-12(18)14-10-5-3-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyCZGWTFZOZRLTKU-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.48
Rot. Bonds5

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

N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135561541) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135561541
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-2-9-7-11(17)16-13(15-9)19-8-12(18)14-10-5-3-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyCZGWTFZOZRLTKU-UHFFFAOYSA-N
XLogP1.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135561541) is N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCc1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CZGWTFZOZRLTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-9-7-11(17)16-13(15-9)19-8-12(18)14-10-5-3-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135561541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).