5-bromo-2-cyclooctylpyrimidin-4-amine

C12H18BrN3 — CID 80610598

IUPAC5-bromo-2-cyclooctylpyrimidin-4-amine
SMILESNc1nc(C2CCCCCCC2)ncc1Br
InChIInChI=1S/C12H18BrN3/c13-10-8-15-12(16-11(10)14)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16)
InChIKeyVHICMIQVQDBYJM-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.65
Rot. Bonds1

About 5-bromo-2-cyclooctylpyrimidin-4-amine

5-bromo-2-cyclooctylpyrimidin-4-amine (PubChem CID 80610598) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-2-cyclooctylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclooctylpyrimidin-4-amine
PubChem CID80610598
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-2-cyclooctylpyrimidin-4-amine
SMILESNc1nc(C2CCCCCCC2)ncc1Br
InChIInChI=1S/C12H18BrN3/c13-10-8-15-12(16-11(10)14)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16)
InChIKeyVHICMIQVQDBYJM-UHFFFAOYSA-N
XLogP3.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-cyclooctylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclooctylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclooctylpyrimidin-4-amine (CID 80610598) is 5-bromo-2-cyclooctylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclooctylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclooctylpyrimidin-4-amine is Nc1nc(C2CCCCCCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-cyclooctylpyrimidin-4-amine?
The InChIKey is VHICMIQVQDBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-10-8-15-12(16-11(10)14)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16).
What are the key properties of 5-bromo-2-cyclooctylpyrimidin-4-amine?
5-bromo-2-cyclooctylpyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclooctylpyrimidin-4-amine is sourced from PubChem (CID 80610598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).