[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine

C15H19FN4O — CID 80910662

IUPAC[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine
SMILESCCC(C)(C)c1ccc(Oc2nc(NN)ncc2F)cc1
InChIInChI=1S/C15H19FN4O/c1-4-15(2,3)10-5-7-11(8-6-10)21-13-12(16)9-18-14(19-13)20-17/h5-9H,4,17H2,1-3H3,(H,18,19,20)
InChIKeyLDZPYRQHYVPRSR-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.38
Rot. Bonds5

About [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine

[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine (PubChem CID 80910662) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine
PubChem CID80910662
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine
SMILESCCC(C)(C)c1ccc(Oc2nc(NN)ncc2F)cc1
InChIInChI=1S/C15H19FN4O/c1-4-15(2,3)10-5-7-11(8-6-10)21-13-12(16)9-18-14(19-13)20-17/h5-9H,4,17H2,1-3H3,(H,18,19,20)
InChIKeyLDZPYRQHYVPRSR-UHFFFAOYSA-N
XLogP3.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.38
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

[5-fluoro-4-(2-methylbutan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80909725
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
(5-fluoro-4-propoxypyrimidin-2-yl)hydrazine
CID 80911557
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874712
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80917818
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
3,5-difluoro-4-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 63457086
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine (CID 80910662) is [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine is CCC(C)(C)c1ccc(Oc2nc(NN)ncc2F)cc1.
What is the InChIKey of [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine?
The InChIKey is LDZPYRQHYVPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-15(2,3)10-5-7-11(8-6-10)21-13-12(16)9-18-14(19-13)20-17/h5-9H,4,17H2,1-3H3,(H,18,19,20).
What are the key properties of [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine?
[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine has a molecular weight of 290.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80910662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).