3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C10H13F3N6O — CID 106256819

IUPAC3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(C(F)(F)F)nc(NN)n2)C1=O
InChIInChI=1S/C10H13F3N6O/c1-19-3-2-5(8(19)20)15-7-4-6(10(11,12)13)16-9(17-7)18-14/h4-5H,2-3,14H2,1H3,(H2,15,16,17,18)
InChIKeyALHSWTJYLWDVBA-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.42
Rot. Bonds3

About 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106256819) has the molecular formula C10H13F3N6O and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID106256819
Molecular FormulaC10H13F3N6O
Molecular Weight290.25 g/mol
Exact Mass290.11
IUPAC Name3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(C(F)(F)F)nc(NN)n2)C1=O
InChIInChI=1S/C10H13F3N6O/c1-19-3-2-5(8(19)20)15-7-4-6(10(11,12)13)16-9(17-7)18-14/h4-5H,2-3,14H2,1H3,(H2,15,16,17,18)
InChIKeyALHSWTJYLWDVBA-UHFFFAOYSA-N
XLogP0.42
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.42
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 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 106256819) is 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2cc(C(F)(F)F)nc(NN)n2)C1=O.
What is the InChIKey of 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is ALHSWTJYLWDVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6O/c1-19-3-2-5(8(19)20)15-7-4-6(10(11,12)13)16-9(17-7)18-14/h4-5H,2-3,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 290.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106256819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).