2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine

C11H10BrN3O2 — CID 116798025

IUPAC2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccc(Oc2nccc(N)n2)c(Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-16-7-2-3-9(8(12)6-7)17-11-14-5-4-10(13)15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyGDTRYHUTMMDRAL-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine

2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 116798025) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
PubChem CID116798025
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccc(Oc2nccc(N)n2)c(Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-16-7-2-3-9(8(12)6-7)17-11-14-5-4-10(13)15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyGDTRYHUTMMDRAL-UHFFFAOYSA-N
XLogP2.62
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-methoxyphenoxy)pyrimidin-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 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine (CID 116798025) is 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine is COc1ccc(Oc2nccc(N)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is GDTRYHUTMMDRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-16-7-2-3-9(8(12)6-7)17-11-14-5-4-10(13)15-11/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine?
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 296.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116798025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).