6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine

C15H18BrN3O — CID 80860005

IUPAC6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Oc1ccc(C)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-4-5-11-14(17-3)18-9-19-15(11)20-13-7-6-10(2)8-12(13)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyPVEJPDUIQYAMFL-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.33
Rot. Bonds5

About 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine

6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80860005) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80860005
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Oc1ccc(C)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-4-5-11-14(17-3)18-9-19-15(11)20-13-7-6-10(2)8-12(13)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyPVEJPDUIQYAMFL-UHFFFAOYSA-N
XLogP4.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917689
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38740235
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988049
6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine (CID 80860005) is 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1Oc1ccc(C)cc1Br.
What is the InChIKey of 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is PVEJPDUIQYAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-5-11-14(17-3)18-9-19-15(11)20-13-7-6-10(2)8-12(13)16/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine?
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80860005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).