4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine

C12H12BrN3O — CID 83135228

IUPAC4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(Br)c(C)c2)nc(N)n1
InChIInChI=1S/C12H12BrN3O/c1-7-5-9(3-4-10(7)13)17-11-6-8(2)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyIMVQTYVEBRFWIM-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.23
Rot. Bonds2

About 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine

4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine (PubChem CID 83135228) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
PubChem CID83135228
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(Br)c(C)c2)nc(N)n1
InChIInChI=1S/C12H12BrN3O/c1-7-5-9(3-4-10(7)13)17-11-6-8(2)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyIMVQTYVEBRFWIM-UHFFFAOYSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-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

Related Compounds

4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
4-(4-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724301
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720089
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 81326185
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333341
4-methyl-6-quinolin-7-yloxypyrimidin-2-amine
CID 107315905
6-(4-bromo-3-methylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 83133166
4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
CID 80875832
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80878320

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine (CID 83135228) is 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2ccc(Br)c(C)c2)nc(N)n1.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is IMVQTYVEBRFWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-7-5-9(3-4-10(7)13)17-11-6-8(2)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine?
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 83135228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).