2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine

C11H16BrN3 — CID 83903387

IUPAC2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine
SMILESNCCc1nc(C2CCCC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c12-9-7-14-11(8-3-1-2-4-8)15-10(9)5-6-13/h7-8H,1-6,13H2
InChIKeyCMDVIXCLQKUYNS-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.40
Rot. Bonds3

About 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine

2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine (PubChem CID 83903387) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine
PubChem CID83903387
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine
SMILESNCCc1nc(C2CCCC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c12-9-7-14-11(8-3-1-2-4-8)15-10(9)5-6-13/h7-8H,1-6,13H2
InChIKeyCMDVIXCLQKUYNS-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyclopropyl-4-ethylpyrimidine
CID 82374760
5-bromo-2-cyclooctylpyrimidin-4-amine
CID 80610598
4-(3-aminopropyl)-2-cyclopentylpyrimidin-5-ol
CID 83890095
5-bromo-2-cyclopentyl-4-cyclopropylpyrimidine
CID 82374795
5-bromo-4-chloro-2-cyclooctylpyrimidine
CID 80603225
2-(5-bromo-2-cyclopropylpyrimidin-4-yl)acetaldehyde
CID 83899067
N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
CID 117211581
5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
CID 66302677
2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine
CID 79219605
4-(3-aminopropyl)-2-cyclopropylpyrimidin-5-ol
CID 83878403
2-(2-cyclopropylpyrimidin-5-yl)ethanamine
CID 62757903
2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852227

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine (CID 83903387) is 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine is NCCc1nc(C2CCCC2)ncc1Br.
What is the InChIKey of 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine?
The InChIKey is CMDVIXCLQKUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-9-7-14-11(8-3-1-2-4-8)15-10(9)5-6-13/h7-8H,1-6,13H2.
What are the key properties of 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine?
2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine has a molecular weight of 270.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83903387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).