6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine

C13H14BrN3O2 — CID 107727388

IUPAC6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H14BrN3O2/c1-7-4-9(5-8(2)10(7)14)19-13-11(18-3)12(15)16-6-17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyYITIQYUQDAUOPP-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.24
Rot. Bonds3

About 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine

6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine (PubChem CID 107727388) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
PubChem CID107727388
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H14BrN3O2/c1-7-4-9(5-8(2)10(7)14)19-13-11(18-3)12(15)16-6-17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyYITIQYUQDAUOPP-UHFFFAOYSA-N
XLogP3.24
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
CID 107727389
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
4-(4-bromo-3,5-dimethylphenoxy)-6-propoxypyrimidin-5-amine
CID 107722498
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
CID 82717490
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
6-(4-bromo-3,5-dimethylphenoxy)-2-methoxypyridin-3-amine
CID 107722457
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
2-methyl-4-quinazolin-4-yloxyaniline
CID 60895454

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine (CID 107727388) is 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine is COc1c(N)ncnc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine?
The InChIKey is YITIQYUQDAUOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-7-4-9(5-8(2)10(7)14)19-13-11(18-3)12(15)16-6-17-13/h4-6H,1-3H3,(H2,15,16,17).
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine?
6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine has a molecular weight of 324.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107727388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).