[2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine

C10H15F3N6 — CID 66936083

IUPAC[2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCN1CCN(c2nc(C(F)F)nc(NN)c2F)CC1
InChIInChI=1S/C10H15F3N6/c1-18-2-4-19(5-3-18)10-6(11)8(17-14)15-9(16-10)7(12)13/h7H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyZSMWRAKYSDCZOL-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.59
Rot. Bonds3

About [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine

[2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 66936083) has the molecular formula C10H15F3N6 and a molecular weight of 276.27 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID66936083
Molecular FormulaC10H15F3N6
Molecular Weight276.27 g/mol
Exact Mass276.13
IUPAC Name[2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCN1CCN(c2nc(C(F)F)nc(NN)c2F)CC1
InChIInChI=1S/C10H15F3N6/c1-18-2-4-19(5-3-18)10-6(11)8(17-14)15-9(16-10)7(12)13/h7H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyZSMWRAKYSDCZOL-UHFFFAOYSA-N
XLogP0.59
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine (CID 66936083) is [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine is CN1CCN(c2nc(C(F)F)nc(NN)c2F)CC1.
What is the InChIKey of [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is ZSMWRAKYSDCZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6/c1-18-2-4-19(5-3-18)10-6(11)8(17-14)15-9(16-10)7(12)13/h7H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
[2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 276.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66936083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).