5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C11H16BrN3OS — CID 136778333

IUPAC5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCCSC1CCC(Nc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H16BrN3OS/c1-2-17-8-4-3-7(5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyZAQWXFGIQMQPJV-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136778333) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136778333
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCCSC1CCC(Nc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H16BrN3OS/c1-2-17-8-4-3-7(5-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyZAQWXFGIQMQPJV-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

Analyze 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136778333) is 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is CCSC1CCC(Nc2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZAQWXFGIQMQPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-2-17-8-4-3-7(5-8)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-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(3-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-[(3-ethylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).