4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine

C13H13BrFN3O2 — CID 81321704

IUPAC4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1ncnc(Oc2cc(F)cc(Br)c2)c1N
InChIInChI=1S/C13H13BrFN3O2/c1-7(2)19-12-11(16)13(18-6-17-12)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3
InChIKeyQVNDNZLXULVOJI-UHFFFAOYSA-N
MW342.17 g/mol
LogP3.54
Rot. Bonds4

About 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine

4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine (PubChem CID 81321704) has the molecular formula C13H13BrFN3O2 and a molecular weight of 342.17 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
PubChem CID81321704
Molecular FormulaC13H13BrFN3O2
Molecular Weight342.17 g/mol
Exact Mass341.02
IUPAC Name4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1ncnc(Oc2cc(F)cc(Br)c2)c1N
InChIInChI=1S/C13H13BrFN3O2/c1-7(2)19-12-11(16)13(18-6-17-12)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3
InChIKeyQVNDNZLXULVOJI-UHFFFAOYSA-N
XLogP3.54
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2,3-difluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 107097443
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81326582
4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 82859543
2-(3-bromo-5-fluorophenoxy)pyridin-3-amine
CID 81322525
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine
CID 102721566
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 81332068
4-N-(3-bromo-5-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 107581915
3-(3-bromo-5-fluorophenoxy)quinoxalin-2-amine
CID 102988317
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
4-chloro-6-propan-2-yloxypyrimidin-5-amine
CID 23477591
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine (CID 81321704) is 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine is CC(C)Oc1ncnc(Oc2cc(F)cc(Br)c2)c1N.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine?
The InChIKey is QVNDNZLXULVOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2/c1-7(2)19-12-11(16)13(18-6-17-12)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3.
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine?
4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine has a molecular weight of 342.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine is sourced from PubChem (CID 81321704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).