6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine

C13H14BrN3O — CID 83134293

IUPAC6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3O/c1-7-6-10(4-5-11(7)14)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyXAUMBMFGJCMQCH-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.54
Rot. Bonds2

About 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine

6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine (PubChem CID 83134293) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
PubChem CID83134293
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3O/c1-7-6-10(4-5-11(7)14)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyXAUMBMFGJCMQCH-UHFFFAOYSA-N
XLogP3.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80864323
6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80874854
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80921981
6-(3-bromo-5-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 103589656
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333341
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
CID 83132767
6-(4-bromo-3-methylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 83133166
2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
CID 81332753

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine (CID 83134293) is 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(Oc2ccc(Br)c(C)c2)n1.
What is the InChIKey of 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is XAUMBMFGJCMQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-7-6-10(4-5-11(7)14)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3,(H2,15,16,17).
What are the key properties of 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 83134293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).