5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C15H24BrN3O — CID 80609914

IUPAC5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCCC2)nc(COC)c1Br
InChIInChI=1S/C15H24BrN3O/c1-17-15-13(16)12(10-20-2)18-14(19-15)11-8-6-4-3-5-7-9-11/h11H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyQPOCPOVCESGORP-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.26
Rot. Bonds4

About 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 80609914) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID80609914
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCCC2)nc(COC)c1Br
InChIInChI=1S/C15H24BrN3O/c1-17-15-13(16)12(10-20-2)18-14(19-15)11-8-6-4-3-5-7-9-11/h11H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyQPOCPOVCESGORP-UHFFFAOYSA-N
XLogP4.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036
5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294532
5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66300160
5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66299977
5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66300961
5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66298788
5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
CID 102928957
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 80609914) is 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(C2CCCCCCC2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is QPOCPOVCESGORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-17-15-13(16)12(10-20-2)18-14(19-15)11-8-6-4-3-5-7-9-11/h11H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 342.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80609914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).