aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine

C99H158Cl5N31O12 — CID 158690859

About aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine

aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine (PubChem CID 158690859) has the molecular formula C99H158Cl5N31O12 and a molecular weight of 2151.82 g/mol. Its IUPAC name is aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

• Compound Name: aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine
• PubChem CID: 158690859
• Molecular Formula: C99H158Cl5N31O12
• Molecular Weight: 2151.82 g/mol
• Exact Mass: 2148.11
• IUPAC Name: aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine
• SMILES: CC.CC.CC.CC.CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)CN(c2nc(Nc3ccccc3)nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)n2)C1.CC(C)(C)OC(=O)NC1CNCC(NC(=O)OC(C)(C)C)C1.Clc1nc(Cl)nc(Cl)n1.Clc1nc(Cl)nc(Nc2ccccc2)n1.NC1CC(N)CN(c2nc(Nc3ccccc3)nc(N3CC(N)CC(N)C3)n2)C1.Nc1ccccc1
• InChI: InChI=1S/C39H62N10O8.C19H30N10.C15H29N3O4.C9H6Cl2N4.C6H7N.C3Cl3N3.4C2H6/c1-36(2,3)54-32(50)41-25-18-26(42-33(51)55-37(4,5)6)21-48(20-25)30-45-29(40-24-16-14-13-15-17-24)46-31(47-30)49-22-27(43-34(52)56-38(7,8)9)19-28(23-49)44-35(53)57-39(10,11)12;20-12-6-13(21)9-28(8-12)18-25-17(24-16-4-2-1-3-5-16)26-19(27-18)29-10-14(22)7-15(23)11-29;1-14(2,3)21-12(19)17-10-7-11(9-16-8-10)18-13(20)22-15(4,5)6;10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;4*1-2/h13-17,25-28H,18-23H2,1-12H3,(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,40,45,46,47);1-5,12-15H,6-11,20-23H2,(H,24,25,26,27);10-11,16H,7-9H2,1-6H3,(H,17,19)(H,18,20);1-5H,(H,12,13,14,15);1-5H,7H2;;4*1-2H3
• InChIKey: IGIGJEAZBNQCKG-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 575.84 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 16
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.82
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine?

The IUPAC name of aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine (CID 158690859) is aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine.

What is the SMILES notation for aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine?

The canonical SMILES for aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine is CC.CC.CC.CC.CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)CN(c2nc(Nc3ccccc3)nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)n2)C1.CC(C)(C)OC(=O)NC1CNCC(NC(=O)OC(C)(C)C)C1.Clc1nc(Cl)nc(Cl)n1.Clc1nc(Cl)nc(Nc2ccccc2)n1.NC1CC(N)CN(c2nc(Nc3ccccc3)nc(N3CC(N)CC(N)C3)n2)C1.Nc1ccccc1.

What is the InChIKey of aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine?

The InChIKey is IGIGJEAZBNQCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H62N10O8.C19H30N10.C15H29N3O4.C9H6Cl2N4.C6H7N.C3Cl3N3.4C2H6/c1-36(2,3)54-32(50)41-25-18-26(42-33(51)55-37(4,5)6)21-48(20-25)30-45-29(40-24-16-14-13-15-17-24)46-31(47-30)49-22-27(43-34(52)56-38(7,8)9)19-28(23-49)44-35(53)57-39(10,11)12;20-12-6-13(21)9-28(8-12)18-25-17(24-16-4-2-1-3-5-16)26-19(27-18)29-10-14(22)7-15(23)11-29;1-14(2,3)21-12(19)17-10-7-11(9-16-8-10)18-13(20)22-15(4,5)6;10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;4*1-2/h13-17,25-28H,18-23H2,1-12H3,(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,40,45,46,47);1-5,12-15H,6-11,20-23H2,(H,24,25,26,27);10-11,16H,7-9H2,1-6H3,(H,17,19)(H,18,20);1-5H,(H,12,13,14,15);1-5H,7H2;;4*1-2H3.

What are the key properties of aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine?

aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 2151.82 g/mol, XLogP of 16.85, 16 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;tert-butyl N-[1-[4-anilino-6-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine;ethane;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 158690859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).