3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione

C10H11F3N6O2 — CID 114567353

IUPAC3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cc(C(F)(F)F)nc(NN)n2)C1=O
InChIInChI=1S/C10H11F3N6O2/c1-19-7(20)2-4(8(19)21)15-6-3-5(10(11,12)13)16-9(17-6)18-14/h3-4H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyADDPNZJIVMNHMW-UHFFFAOYSA-N
MW304.23 g/mol
LogP-0.05
Rot. Bonds3

About 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione

3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 114567353) has the molecular formula C10H11F3N6O2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID114567353
Molecular FormulaC10H11F3N6O2
Molecular Weight304.23 g/mol
Exact Mass304.09
IUPAC Name3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cc(C(F)(F)F)nc(NN)n2)C1=O
InChIInChI=1S/C10H11F3N6O2/c1-19-7(20)2-4(8(19)21)15-6-3-5(10(11,12)13)16-9(17-6)18-14/h3-4H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyADDPNZJIVMNHMW-UHFFFAOYSA-N
XLogP-0.05
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
(4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-L-prolinamide
CID 70776865
2-(2,5-dioxopyrrolidin-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}acetamide
CID 71796961
1-Methyl-3-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 75422659
1-[3-[[6-(Difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione
CID 136568946
(3S)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidine-2,5-dione
CID 164629571
(4R)-4-[[[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyrrolidin-2-one
CID 171359039
N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetohydrazide
CID 140101195
1-(2,6-dimethylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 53503466
1-Methyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-2,5-dione
CID 65688288
(2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 70760319
(4R)-4-amino-N-methyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-L-prolinamide
CID 70774472

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione (CID 114567353) is 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(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-methylpyrrolidine-2,5-dione?
The InChIKey is ADDPNZJIVMNHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O2/c1-19-7(20)2-4(8(19)21)15-6-3-5(10(11,12)13)16-9(17-6)18-14/h3-4H,2,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 304.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114567353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).