2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one

C11H17N3OS — CID 79573538

IUPAC2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one
SMILESNC1CCCC1CCSc1nccc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c12-9-3-1-2-8(9)5-7-16-11-13-6-4-10(15)14-11/h4,6,8-9H,1-3,5,7,12H2,(H,13,14,15)
InChIKeySQFKMGAPDKAZIV-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.38
Rot. Bonds4

About 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one

2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 79573538) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one
PubChem CID79573538
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one
SMILESNC1CCCC1CCSc1nccc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c12-9-3-1-2-8(9)5-7-16-11-13-6-4-10(15)14-11/h4,6,8-9H,1-3,5,7,12H2,(H,13,14,15)
InChIKeySQFKMGAPDKAZIV-UHFFFAOYSA-N
XLogP1.38
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one (CID 79573538) is 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one is NC1CCCC1CCSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is SQFKMGAPDKAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-9-3-1-2-8(9)5-7-16-11-13-6-4-10(15)14-11/h4,6,8-9H,1-3,5,7,12H2,(H,13,14,15).
What are the key properties of 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one?
2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 79573538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).