5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine

C12H20BrN3 — CID 63873425

IUPAC5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(Br)cn1
InChIInChI=1S/C12H20BrN3/c1-4-10(5-2)9-16(6-3)12-14-7-11(13)8-15-12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyASWOOQIFCQYMDD-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.50
Rot. Bonds6

About 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine

5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine (PubChem CID 63873425) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
PubChem CID63873425
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(Br)cn1
InChIInChI=1S/C12H20BrN3/c1-4-10(5-2)9-16(6-3)12-14-7-11(13)8-15-12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyASWOOQIFCQYMDD-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-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-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine (CID 63873425) is 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine is CCC(CC)CN(CC)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine?
The InChIKey is ASWOOQIFCQYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-10(5-2)9-16(6-3)12-14-7-11(13)8-15-12/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine?
5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine has a molecular weight of 286.22 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 63873425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).