6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione

C12H11Cl2F3N4O2 — CID 78292335

IUPAC6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CC(Cl)NC(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H11Cl2F3N4O2/c13-7-3-6(12(15,16)17)5-19-10(7)18-1-2-21-9(22)4-8(14)20-11(21)23/h3,5,8H,1-2,4H2,(H,18,19)(H,20,23)
InChIKeyDTOLYNJBFRRPKT-UHFFFAOYSA-N
MW371.15 g/mol
LogP2.67
Rot. Bonds4

About 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione

6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione (PubChem CID 78292335) has the molecular formula C12H11Cl2F3N4O2 and a molecular weight of 371.15 g/mol. Its IUPAC name is 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione
PubChem CID78292335
Molecular FormulaC12H11Cl2F3N4O2
Molecular Weight371.15 g/mol
Exact Mass370.02
IUPAC Name6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CC(Cl)NC(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H11Cl2F3N4O2/c13-7-3-6(12(15,16)17)5-19-10(7)18-1-2-21-9(22)4-8(14)20-11(21)23/h3,5,8H,1-2,4H2,(H,18,19)(H,20,23)
InChIKeyDTOLYNJBFRRPKT-UHFFFAOYSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4,6-trione
CID 2767258
(3aS,4R,7R,7aS)-2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 124785053
(3aR,4S,7R,7aR)-2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 6558282
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
(5R)-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-(pyridin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 1487263
5-[(4-chlorophenyl)methylidene]-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4,6-trione
CID 2768899
(3S)-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 32643192
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-[1-(dimethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
CID 1486831
3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 106126082
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 61063880
(5R)-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-(methoxyiminomethyl)-1,3-diazinane-2,4,6-trione
CID 7085804
(3aR,6aR)-3-acetyl-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7070358

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione (CID 78292335) is 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione is O=C1CC(Cl)NC(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is DTOLYNJBFRRPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F3N4O2/c13-7-3-6(12(15,16)17)5-19-10(7)18-1-2-21-9(22)4-8(14)20-11(21)23/h3,5,8H,1-2,4H2,(H,18,19)(H,20,23).
What are the key properties of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione?
6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 371.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78292335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).