[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine

C15H18F2N4 — CID 115525374

IUPAC[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccc(C(F)F)cc2)n1
InChIInChI=1S/C15H18F2N4/c1-15(2,3)11-8-12(21-18)20-14(19-11)10-6-4-9(5-7-10)13(16)17/h4-8,13H,18H2,1-3H3,(H,19,20,21)
InChIKeyWPDHQYDJRXFIDB-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.66
Rot. Bonds3

About [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine (PubChem CID 115525374) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
PubChem CID115525374
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccc(C(F)F)cc2)n1
InChIInChI=1S/C15H18F2N4/c1-15(2,3)11-8-12(21-18)20-14(19-11)10-6-4-9(5-7-10)13(16)17/h4-8,13H,18H2,1-3H3,(H,19,20,21)
InChIKeyWPDHQYDJRXFIDB-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.66
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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Related Compounds

3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol
CID 62250551
[6-tert-butyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-yl]hydrazine
CID 113457290
[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62252562
[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 65022279
(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
CID 62252923
[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62251106
[6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 62251619
[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62251429
[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62944421
[2-(5-bromofuran-2-yl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62252786
[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 103083846
2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 115525281

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine (CID 115525374) is [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(-c2ccc(C(F)F)cc2)n1.
What is the InChIKey of [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
The InChIKey is WPDHQYDJRXFIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-15(2,3)11-8-12(21-18)20-14(19-11)10-6-4-9(5-7-10)13(16)17/h4-8,13H,18H2,1-3H3,(H,19,20,21).
What are the key properties of [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine has a molecular weight of 292.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115525374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).