6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine

C15H18BrN3O — CID 83145197

IUPAC6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)c(C)c2)nc(C)n1
InChIInChI=1S/C15H18BrN3O/c1-4-7-17-14-9-15(19-11(3)18-14)20-12-5-6-13(16)10(2)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyYQEQKQLMGXPYLZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.47
Rot. Bonds5

About 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine

6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 83145197) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID83145197
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)c(C)c2)nc(C)n1
InChIInChI=1S/C15H18BrN3O/c1-4-7-17-14-9-15(19-11(3)18-14)20-12-5-6-13(16)10(2)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyYQEQKQLMGXPYLZ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747
6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881036
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
CID 83145689
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874964
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80915052
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine (CID 83145197) is 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(Br)c(C)c2)nc(C)n1.
What is the InChIKey of 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is YQEQKQLMGXPYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-7-17-14-9-15(19-11(3)18-14)20-12-5-6-13(16)10(2)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine?
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 4.47, 5 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-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 83145197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).