4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine

C19H25Cl3N6 — CID 118250454

IUPAC4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Nc3ccccc3)nc(C(Cl)(Cl)Cl)n2)CC(C)(C)N1
InChIInChI=1S/C19H25Cl3N6/c1-17(2)10-13(11-18(3,4)28-17)24-16-26-14(19(20,21)22)25-15(27-16)23-12-8-6-5-7-9-12/h5-9,13,28H,10-11H2,1-4H3,(H2,23,24,25,26,27)
InChIKeySATPIEPJLUVUHY-UHFFFAOYSA-N
MW443.81 g/mol
LogP5.16
Rot. Bonds4

About 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine

4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 118250454) has the molecular formula C19H25Cl3N6 and a molecular weight of 443.81 g/mol. Its IUPAC name is 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID118250454
Molecular FormulaC19H25Cl3N6
Molecular Weight443.81 g/mol
Exact Mass442.12
IUPAC Name4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Nc3ccccc3)nc(C(Cl)(Cl)Cl)n2)CC(C)(C)N1
InChIInChI=1S/C19H25Cl3N6/c1-17(2)10-13(11-18(3,4)28-17)24-16-26-14(19(20,21)22)25-15(27-16)23-12-8-6-5-7-9-12/h5-9,13,28H,10-11H2,1-4H3,(H2,23,24,25,26,27)
InChIKeySATPIEPJLUVUHY-UHFFFAOYSA-N
XLogP5.16
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.81
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine (CID 118250454) is 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(Nc3ccccc3)nc(C(Cl)(Cl)Cl)n2)CC(C)(C)N1.
What is the InChIKey of 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SATPIEPJLUVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl3N6/c1-17(2)10-13(11-18(3,4)28-17)24-16-26-14(19(20,21)22)25-15(27-16)23-12-8-6-5-7-9-12/h5-9,13,28H,10-11H2,1-4H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 443.81 g/mol, XLogP of 5.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118250454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).