6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine

C14H15BrFN3O — CID 80863475

IUPAC6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(F)cc2Br)nc(C)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(16)7-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyJETNEBWLQJTYPK-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.30
Rot. Bonds5

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

6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80863475) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80863475
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(F)cc2Br)nc(C)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(16)7-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyJETNEBWLQJTYPK-UHFFFAOYSA-N
XLogP4.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80755574
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874964
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
CID 62785834

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine (CID 80863475) is 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(F)cc2Br)nc(C)n1.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is JETNEBWLQJTYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(16)7-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 340.20 g/mol, XLogP of 4.30, 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-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80863475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).