6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine

C14H16BrN3O — CID 107287427

IUPAC6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cc(Br)ccc2C)c1C
InChIInChI=1S/C14H16BrN3O/c1-8-5-6-11(15)7-12(8)19-14-9(2)13(16-4)17-10(3)18-14/h5-7H,1-4H3,(H,16,17,18)
InChIKeyYQLABSMFCYEGMZ-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.00
Rot. Bonds3

About 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine

6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 107287427) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID107287427
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cc(Br)ccc2C)c1C
InChIInChI=1S/C14H16BrN3O/c1-8-5-6-11(15)7-12(8)19-14-9(2)13(16-4)17-10(3)18-14/h5-7H,1-4H3,(H,16,17,18)
InChIKeyYQLABSMFCYEGMZ-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-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 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine (CID 107287427) is 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Oc2cc(Br)ccc2C)c1C.
What is the InChIKey of 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is YQLABSMFCYEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8-5-6-11(15)7-12(8)19-14-9(2)13(16-4)17-10(3)18-14/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 107287427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).