4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

C10H15F3N6 — CID 80925159

IUPAC4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C10H15F3N6/c11-10(12,13)6-2-1-3-19(5-6)8-4-7(18-15)16-9(14)17-8/h4,6H,1-3,5,15H2,(H3,14,16,17,18)
InChIKeyPDMVFRBBRRQZAL-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.12
Rot. Bonds2

About 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 80925159) has the molecular formula C10H15F3N6 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID80925159
Molecular FormulaC10H15F3N6
Molecular Weight276.27 g/mol
Exact Mass276.13
IUPAC Name4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C10H15F3N6/c11-10(12,13)6-2-1-3-19(5-6)8-4-7(18-15)16-9(14)17-8/h4,6H,1-3,5,15H2,(H3,14,16,17,18)
InChIKeyPDMVFRBBRRQZAL-UHFFFAOYSA-N
XLogP1.12
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
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 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (CID 80925159) is 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is NNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1.
What is the InChIKey of 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is PDMVFRBBRRQZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6/c11-10(12,13)6-2-1-3-19(5-6)8-4-7(18-15)16-9(14)17-8/h4,6H,1-3,5,15H2,(H3,14,16,17,18).
What are the key properties of 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 276.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80925159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).