5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine

C11H18BrN3O — CID 103745750

IUPAC5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCCCN(CC)c1ncc(Br)c(OC)n1
InChIInChI=1S/C11H18BrN3O/c1-4-6-7-15(5-2)11-13-8-9(12)10(14-11)16-3/h8H,4-7H2,1-3H3
InChIKeyXDJXOFANZJOYFW-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.87
Rot. Bonds6

About 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine

5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine (PubChem CID 103745750) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
PubChem CID103745750
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCCCN(CC)c1ncc(Br)c(OC)n1
InChIInChI=1S/C11H18BrN3O/c1-4-6-7-15(5-2)11-13-8-9(12)10(14-11)16-3/h8H,4-7H2,1-3H3
InChIKeyXDJXOFANZJOYFW-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine (CID 103745750) is 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine is CCCCN(CC)c1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
The InChIKey is XDJXOFANZJOYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-4-6-7-15(5-2)11-13-8-9(12)10(14-11)16-3/h8H,4-7H2,1-3H3.
What are the key properties of 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine has a molecular weight of 288.19 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-N-ethyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 103745750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).