[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine

C10H14BrN3O — CID 66319999

IUPAC[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine
SMILESNCC1CCCC1Oc1ncncc1Br
InChIInChI=1S/C10H14BrN3O/c11-8-5-13-6-14-10(8)15-9-3-1-2-7(9)4-12/h5-7,9H,1-4,12H2
InChIKeyJPAFUBIIGJBDRK-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.75
Rot. Bonds3

About [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine

[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine (PubChem CID 66319999) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine
PubChem CID66319999
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine
SMILESNCC1CCCC1Oc1ncncc1Br
InChIInChI=1S/C10H14BrN3O/c11-8-5-13-6-14-10(8)15-9-3-1-2-7(9)4-12/h5-7,9H,1-4,12H2
InChIKeyJPAFUBIIGJBDRK-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine?
The IUPAC name of [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine (CID 66319999) is [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine.
What is the SMILES notation for [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine?
The canonical SMILES for [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine is NCC1CCCC1Oc1ncncc1Br.
What is the InChIKey of [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine?
The InChIKey is JPAFUBIIGJBDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-8-5-13-6-14-10(8)15-9-3-1-2-7(9)4-12/h5-7,9H,1-4,12H2.
What are the key properties of [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine?
[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine has a molecular weight of 272.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine is sourced from PubChem (CID 66319999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).