5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C11H16BrN3OS — CID 136811849

IUPAC5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCCSC1CCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3OS/c1-2-17-8-5-3-4-7(8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyWKUFHWSIUANLER-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136811849) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136811849
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCCSC1CCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3OS/c1-2-17-8-5-3-4-7(8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyWKUFHWSIUANLER-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136811849) is 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is CCSC1CCCC1Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WKUFHWSIUANLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-2-17-8-5-3-4-7(8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 318.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).