[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine

C11H17F3N6 — CID 80919260

IUPAC[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N6/c1-8-16-9(18-15)6-10(17-8)20-4-2-19(3-5-20)7-11(12,13)14/h6H,2-5,7,15H2,1H3,(H,16,17,18)
InChIKeyPUCXMXLPJJBZKJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.75
Rot. Bonds3

About [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine

[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80919260) has the molecular formula C11H17F3N6 and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80919260
Molecular FormulaC11H17F3N6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC Name[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N6/c1-8-16-9(18-15)6-10(17-8)20-4-2-19(3-5-20)7-11(12,13)14/h6H,2-5,7,15H2,1H3,(H,16,17,18)
InChIKeyPUCXMXLPJJBZKJ-UHFFFAOYSA-N
XLogP0.75
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.75
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'}

Analyze [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine (CID 80919260) is [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is PUCXMXLPJJBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6/c1-8-16-9(18-15)6-10(17-8)20-4-2-19(3-5-20)7-11(12,13)14/h6H,2-5,7,15H2,1H3,(H,16,17,18).
What are the key properties of [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 290.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80919260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).