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

C16H22N4O — CID 80910663

IUPAC[2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCCC(C)(C)c1ccc(Oc2cc(NN)nc(C)n2)cc1
InChIInChI=1S/C16H22N4O/c1-5-16(3,4)12-6-8-13(9-7-12)21-15-10-14(20-17)18-11(2)19-15/h6-10H,5,17H2,1-4H3,(H,18,19,20)
InChIKeyTUHXCPKQQKHEIZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.55
Rot. Bonds5

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

[2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80910663) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
PubChem CID80910663
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCCC(C)(C)c1ccc(Oc2cc(NN)nc(C)n2)cc1
InChIInChI=1S/C16H22N4O/c1-5-16(3,4)12-6-8-13(9-7-12)21-15-10-14(20-17)18-11(2)19-15/h6-10H,5,17H2,1-4H3,(H,18,19,20)
InChIKeyTUHXCPKQQKHEIZ-UHFFFAOYSA-N
XLogP3.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.55
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-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80915052
[6-(3-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80916968
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
[6-(4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721247
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]phenyl]hydrazine
CID 91743230

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine (CID 80910663) is [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine is CCC(C)(C)c1ccc(Oc2cc(NN)nc(C)n2)cc1.
What is the InChIKey of [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is TUHXCPKQQKHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-16(3,4)12-6-8-13(9-7-12)21-15-10-14(20-17)18-11(2)19-15/h6-10H,5,17H2,1-4H3,(H,18,19,20).
What are the key properties of [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine?
[2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80910663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).