4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one

C9H11F3N6O — CID 114157149

IUPAC4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N6O/c10-9(11,12)5-2-6(17-8(16-5)18-13)15-4-1-7(19)14-3-4/h2,4H,1,3,13H2,(H,14,19)(H2,15,16,17,18)
InChIKeyMXSTTYKEQKANBE-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.08
Rot. Bonds3

About 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one

4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 114157149) has the molecular formula C9H11F3N6O and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID114157149
Molecular FormulaC9H11F3N6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N6O/c10-9(11,12)5-2-6(17-8(16-5)18-13)15-4-1-7(19)14-3-4/h2,4H,1,3,13H2,(H,14,19)(H2,15,16,17,18)
InChIKeyMXSTTYKEQKANBE-UHFFFAOYSA-N
XLogP0.08
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.08
H-Bond Donors ≤ 54
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-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 114157149) is 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one is NNc1nc(NC2CNC(=O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is MXSTTYKEQKANBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6O/c10-9(11,12)5-2-6(17-8(16-5)18-13)15-4-1-7(19)14-3-4/h2,4H,1,3,13H2,(H,14,19)(H2,15,16,17,18).
What are the key properties of 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 276.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 114157149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).