[2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

C13H20F3N5 — CID 80968253

IUPAC[2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H20F3N5/c1-8(2)12-18-10(20-17)6-11(19-12)21-5-3-4-9(7-21)13(14,15)16/h6,8-9H,3-5,7,17H2,1-2H3,(H,18,19,20)
InChIKeyBMTIOGYZTBCOSH-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.66
Rot. Bonds3

About [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

[2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80968253) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80968253
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name[2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H20F3N5/c1-8(2)12-18-10(20-17)6-11(19-12)21-5-3-4-9(7-21)13(14,15)16/h6,8-9H,3-5,7,17H2,1-2H3,(H,18,19,20)
InChIKeyBMTIOGYZTBCOSH-UHFFFAOYSA-N
XLogP2.66
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (CID 80968253) is [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is BMTIOGYZTBCOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-8(2)12-18-10(20-17)6-11(19-12)21-5-3-4-9(7-21)13(14,15)16/h6,8-9H,3-5,7,17H2,1-2H3,(H,18,19,20).
What are the key properties of [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
[2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 303.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).