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

C14H16ClFN4 — CID 62944421

IUPAC[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H16ClFN4/c1-14(2,3)11-7-12(20-17)19-13(18-11)9-5-4-8(16)6-10(9)15/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyZLHJBGFYBVWSCD-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.52
Rot. Bonds2

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

[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine (PubChem CID 62944421) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is [6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
PubChem CID62944421
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H16ClFN4/c1-14(2,3)11-7-12(20-17)19-13(18-11)9-5-4-8(16)6-10(9)15/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyZLHJBGFYBVWSCD-UHFFFAOYSA-N
XLogP3.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.52
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-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine (CID 62944421) is [6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of [6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is ZLHJBGFYBVWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-14(2,3)11-7-12(20-17)19-13(18-11)9-5-4-8(16)6-10(9)15/h4-7H,17H2,1-3H3,(H,18,19,20).
What are the key properties of [6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 294.76 g/mol, XLogP of 3.52, 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-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62944421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).