[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C17H13F3N4 — CID 10019508

IUPAC[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)16-22-14(12-9-5-2-6-10-12)13(15(23-16)24-21)11-7-3-1-4-8-11/h1-10H,21H2,(H,22,23,24)
InChIKeyKGICKJNIWNZKHR-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.11
Rot. Bonds3

About [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 10019508) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID10019508
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC Name[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)16-22-14(12-9-5-2-6-10-12)13(15(23-16)24-21)11-7-3-1-4-8-11/h1-10H,21H2,(H,22,23,24)
InChIKeyKGICKJNIWNZKHR-UHFFFAOYSA-N
XLogP4.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.11
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 [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 10019508) is [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is KGICKJNIWNZKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c18-17(19,20)16-22-14(12-9-5-2-6-10-12)13(15(23-16)24-21)11-7-3-1-4-8-11/h1-10H,21H2,(H,22,23,24).
What are the key properties of [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 330.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 10019508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).