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

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Related Compounds

[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80862724
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990914
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988091
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706

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).