3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine

C9H12BrN3O — CID 79465626

IUPAC3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine
SMILESNC1CCC(Oc2ncncc2Br)C1
InChIInChI=1S/C9H12BrN3O/c10-8-4-12-5-13-9(8)14-7-2-1-6(11)3-7/h4-7H,1-3,11H2
InChIKeyYRSCQKPXBPRPPZ-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.50
Rot. Bonds2

About 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine

3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine (PubChem CID 79465626) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine
PubChem CID79465626
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine
SMILESNC1CCC(Oc2ncncc2Br)C1
InChIInChI=1S/C9H12BrN3O/c10-8-4-12-5-13-9(8)14-7-2-1-6(11)3-7/h4-7H,1-3,11H2
InChIKeyYRSCQKPXBPRPPZ-UHFFFAOYSA-N
XLogP1.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine?
The IUPAC name of 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine (CID 79465626) is 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine.
What is the SMILES notation for 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine?
The canonical SMILES for 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine is NC1CCC(Oc2ncncc2Br)C1.
What is the InChIKey of 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine?
The InChIKey is YRSCQKPXBPRPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-8-4-12-5-13-9(8)14-7-2-1-6(11)3-7/h4-7H,1-3,11H2.
What are the key properties of 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine?
3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine has a molecular weight of 258.12 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine is sourced from PubChem (CID 79465626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).