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

C16H26BrN3O — CID 80610799

IUPAC5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCCCCC2)nc(COC)c1Br
InChIInChI=1S/C16H26BrN3O/c1-3-18-16-14(17)13(11-21-2)19-15(20-16)12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyUGNOSJOWXQDGFN-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.65
Rot. Bonds5

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

5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 80610799) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID80610799
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCCCCC2)nc(COC)c1Br
InChIInChI=1S/C16H26BrN3O/c1-3-18-16-14(17)13(11-21-2)19-15(20-16)12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyUGNOSJOWXQDGFN-UHFFFAOYSA-N
XLogP4.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 80610799) is 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1nc(C2CCCCCCC2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is UGNOSJOWXQDGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-3-18-16-14(17)13(11-21-2)19-15(20-16)12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 80610799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).