[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine

C15H20N4O — CID 80915358

IUPAC[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCCC(C)(C)c1ccc(Oc2cc(NN)ncn2)cc1
InChIInChI=1S/C15H20N4O/c1-4-15(2,3)11-5-7-12(8-6-11)20-14-9-13(19-16)17-10-18-14/h5-10H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyVTDYFJLCWIXZNO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.24
Rot. Bonds5

About [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine

[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80915358) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
PubChem CID80915358
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCCC(C)(C)c1ccc(Oc2cc(NN)ncn2)cc1
InChIInChI=1S/C15H20N4O/c1-4-15(2,3)11-5-7-12(8-6-11)20-14-9-13(19-16)17-10-18-14/h5-10H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyVTDYFJLCWIXZNO-UHFFFAOYSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.24
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

[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80918117
[2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910663
[6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80915515
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345
2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
CID 80626968
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
[6-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine (CID 80915358) is [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine is CCC(C)(C)c1ccc(Oc2cc(NN)ncn2)cc1.
What is the InChIKey of [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is VTDYFJLCWIXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-15(2,3)11-5-7-12(8-6-11)20-14-9-13(19-16)17-10-18-14/h5-10H,4,16H2,1-3H3,(H,17,18,19).
What are the key properties of [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 272.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80915358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).