6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine

C13H13BrFN3O — CID 80881778

IUPAC6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3O/c1-7(2)11-12(16)17-6-18-13(11)19-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyGJQYYNLEJHZYEZ-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.88
Rot. Bonds3

About 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine

6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80881778) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80881778
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3O/c1-7(2)11-12(16)17-6-18-13(11)19-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyGJQYYNLEJHZYEZ-UHFFFAOYSA-N
XLogP3.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-fluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80875099
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 114073133
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461
(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
CID 64719989
(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine (CID 80881778) is 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1Oc1ccc(Br)cc1F.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is GJQYYNLEJHZYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-7(2)11-12(16)17-6-18-13(11)19-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 326.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80881778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).