6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C65H78F3N17O2 — CID 161391424

IUPAC6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc(C(C)(C)C)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(C(C)(C)C)n2)cc1.Cc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C23H31N7.C21H22F3N5.C21H25N5O2/c1-23(2,3)20-26-21(24-16-8-12-18(13-9-16)29(4)5)28-22(27-20)25-17-10-14-19(15-11-17)30(6)7;1-13-7-5-9-15(11-13)25-18-27-17(20(2,3)4)28-19(29-18)26-16-10-6-8-14(12-16)21(22,23)24;1-21(2,3)18-24-19(22-14-6-10-16(27-4)11-7-14)26-20(25-18)23-15-8-12-17(28-5)13-9-15/h8-15H,1-7H3,(H2,24,25,26,27,28);5-12H,1-4H3,(H2,25,26,27,28,29);6-13H,1-5H3,(H2,22,23,24,25,26)
InChIKeyVTAPSJXDUIBJMP-UHFFFAOYSA-N
MW1186.45 g/mol
LogP15.45
Rot. Bonds16

About 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 161391424) has the molecular formula C65H78F3N17O2 and a molecular weight of 1186.45 g/mol. Its IUPAC name is 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID161391424
Molecular FormulaC65H78F3N17O2
Molecular Weight1186.45 g/mol
Exact Mass1185.65
IUPAC Name6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc(C(C)(C)C)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(C(C)(C)C)n2)cc1.Cc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C23H31N7.C21H22F3N5.C21H25N5O2/c1-23(2,3)20-26-21(24-16-8-12-18(13-9-16)29(4)5)28-22(27-20)25-17-10-14-19(15-11-17)30(6)7;1-13-7-5-9-15(11-13)25-18-27-17(20(2,3)4)28-19(29-18)26-16-10-6-8-14(12-16)21(22,23)24;1-21(2,3)18-24-19(22-14-6-10-16(27-4)11-7-14)26-20(25-18)23-15-8-12-17(28-5)13-9-15/h8-15H,1-7H3,(H2,24,25,26,27,28);5-12H,1-4H3,(H2,25,26,27,28,29);6-13H,1-5H3,(H2,22,23,24,25,26)
InChIKeyVTAPSJXDUIBJMP-UHFFFAOYSA-N
XLogP15.45
TPSA213.13 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001186.45
LogP ≤ 515.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 161391424) is 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CN(C)c1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc(C(C)(C)C)n2)cc1.COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(C(C)(C)C)n2)cc1.Cc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(C(C)(C)C)n2)c1.
What is the InChIKey of 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VTAPSJXDUIBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7.C21H22F3N5.C21H25N5O2/c1-23(2,3)20-26-21(24-16-8-12-18(13-9-16)29(4)5)28-22(27-20)25-17-10-14-19(15-11-17)30(6)7;1-13-7-5-9-15(11-13)25-18-27-17(20(2,3)4)28-19(29-18)26-16-10-6-8-14(12-16)21(22,23)24;1-21(2,3)18-24-19(22-14-6-10-16(27-4)11-7-14)26-20(25-18)23-15-8-12-17(28-5)13-9-15/h8-15H,1-7H3,(H2,24,25,26,27,28);5-12H,1-4H3,(H2,25,26,27,28,29);6-13H,1-5H3,(H2,22,23,24,25,26).
What are the key properties of 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1186.45 g/mol, XLogP of 15.45, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-N,4-N-bis[4-(dimethylamino)phenyl]-1,3,5-triazine-2,4-diamine;6-tert-butyl-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;6-tert-butyl-4-N-(3-methylphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 161391424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).