2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine

C11H18BrN3 — CID 63873624

IUPAC2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-4-10(13-5-2)8(3)11-14-6-9(12)7-15-11/h6-8,10,13H,4-5H2,1-3H3
InChIKeyBKRYRZURVIWQPQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.73
Rot. Bonds5

About 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine

2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine (PubChem CID 63873624) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine
PubChem CID63873624
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-4-10(13-5-2)8(3)11-14-6-9(12)7-15-11/h6-8,10,13H,4-5H2,1-3H3
InChIKeyBKRYRZURVIWQPQ-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine (CID 63873624) is 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine is CCNC(CC)C(C)c1ncc(Br)cn1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine?
The InChIKey is BKRYRZURVIWQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-10(13-5-2)8(3)11-14-6-9(12)7-15-11/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine?
2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine has a molecular weight of 272.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine is sourced from PubChem (CID 63873624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).