N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C13H19N3O2S — CID 135427414

IUPACN-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)14-13(16-12(8)18)19-7-11(17)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,15,17)(H,14,16,18)
InChIKeyPHTWJDYBTZEBNK-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.54
Rot. Bonds4

About N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135427414) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135427414
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)14-13(16-12(8)18)19-7-11(17)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,15,17)(H,14,16,18)
InChIKeyPHTWJDYBTZEBNK-UHFFFAOYSA-N
XLogP1.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135427414) is N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1C.
What is the InChIKey of N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is PHTWJDYBTZEBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-9(2)14-13(16-12(8)18)19-7-11(17)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,15,17)(H,14,16,18).
What are the key properties of N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135427414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).