[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine

C13H14BrFN4O — CID 115403150

IUPAC[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCC(C)c1cc(Br)ccc1Oc1nc(NN)ncc1F
InChIInChI=1S/C13H14BrFN4O/c1-7(2)9-5-8(14)3-4-11(9)20-12-10(15)6-17-13(18-12)19-16/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyRDJPDGHVPHQRKI-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.58
Rot. Bonds4

About [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine

[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 115403150) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID115403150
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCC(C)c1cc(Br)ccc1Oc1nc(NN)ncc1F
InChIInChI=1S/C13H14BrFN4O/c1-7(2)9-5-8(14)3-4-11(9)20-12-10(15)6-17-13(18-12)19-16/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyRDJPDGHVPHQRKI-UHFFFAOYSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971
[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916575
2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80920318
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
[5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80922585
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine (CID 115403150) is [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine is CC(C)c1cc(Br)ccc1Oc1nc(NN)ncc1F.
What is the InChIKey of [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is RDJPDGHVPHQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-7(2)9-5-8(14)3-4-11(9)20-12-10(15)6-17-13(18-12)19-16/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine?
[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 341.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 115403150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).