3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine

C11H18BrN3 — CID 66321176

IUPAC3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)c1ncncc1Br
InChIInChI=1S/C11H18BrN3/c1-4-9(8(3)14-5-2)11-10(12)6-13-7-15-11/h6-9,14H,4-5H2,1-3H3
InChIKeyCZGBYYAGZPEJSH-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.73
Rot. Bonds5

About 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine

3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine (PubChem CID 66321176) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine
PubChem CID66321176
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)c1ncncc1Br
InChIInChI=1S/C11H18BrN3/c1-4-9(8(3)14-5-2)11-10(12)6-13-7-15-11/h6-9,14H,4-5H2,1-3H3
InChIKeyCZGBYYAGZPEJSH-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 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine?
The IUPAC name of 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine (CID 66321176) is 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine is CCNC(C)C(CC)c1ncncc1Br.
What is the InChIKey of 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine?
The InChIKey is CZGBYYAGZPEJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-9(8(3)14-5-2)11-10(12)6-13-7-15-11/h6-9,14H,4-5H2,1-3H3.
What are the key properties of 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine?
3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-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 3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 66321176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).