[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine

C14H18N4O — CID 80916958

IUPAC[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cccc(Oc2cc(NN)ncn2)c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)10-5-4-6-11(7-10)19-13-8-12(18-15)16-9-17-13/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyUAIAJMWUTICYOQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds3

About [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine

[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80916958) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80916958
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cccc(Oc2cc(NN)ncn2)c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)10-5-4-6-11(7-10)19-13-8-12(18-15)16-9-17-13/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyUAIAJMWUTICYOQ-UHFFFAOYSA-N
XLogP2.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
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

[3-(6-hydrazinylpyrimidin-4-yl)oxyphenyl]methanol
CID 80931261
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358
[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80918117
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345
[6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80915515
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
6-(3-tert-butylphenoxy)pyridine-2,3-diamine
CID 79827061
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
[6-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273
6-(3-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43262593
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62324004

Frequently Asked Questions

What is the IUPAC name of [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine (CID 80916958) is [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine is CC(C)(C)c1cccc(Oc2cc(NN)ncn2)c1.
What is the InChIKey of [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is UAIAJMWUTICYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)10-5-4-6-11(7-10)19-13-8-12(18-15)16-9-17-13/h4-9H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine?
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80916958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).