[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine

C14H17FN4 — CID 62252562

IUPAC[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-14(2,3)11-8-12(19-16)18-13(17-11)9-5-4-6-10(15)7-9/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyZUZVWTXKHNXBPQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.87
Rot. Bonds2

About [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine (PubChem CID 62252562) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine
PubChem CID62252562
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-14(2,3)11-8-12(19-16)18-13(17-11)9-5-4-6-10(15)7-9/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyZUZVWTXKHNXBPQ-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine (CID 62252562) is [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(-c2cccc(F)c2)n1.
What is the InChIKey of [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is ZUZVWTXKHNXBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-14(2,3)11-8-12(19-16)18-13(17-11)9-5-4-6-10(15)7-9/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 260.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).