6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine

C132H250N32O8 — CID 19367387

About 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19367387) has the molecular formula C132H250N32O8 and a molecular weight of 2413.67 g/mol. Its IUPAC name is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 19367387
• Molecular Formula: C132H250N32O8
• Molecular Weight: 2413.67 g/mol
• Exact Mass: 2412.01
• IUPAC Name: 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine
• SMILES: COC(CCNc1nc(NCCC(OC)C2CC(C)(C)N(C)C(C)(C)C2)nc(C(N)(c2nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)n2)C(CNCCNCCCN)(c2nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)n2)n1)C1CC(C)(C)N(C)C(C)(C)C1
• InChI: InChI=1S/C132H250N32O8/c1-115(2)70-87(71-116(3,4)157(115)33)95(165-41)50-60-137-107-145-103(146-108(153-107)138-61-51-96(166-42)88-72-117(5,6)158(34)118(7,8)73-88)131(86-136-69-68-135-59-49-58-133,104-147-109(139-62-52-97(167-43)89-74-119(9,10)159(35)120(11,12)75-89)154-110(148-104)140-63-53-98(168-44)90-76-121(13,14)160(36)122(15,16)77-90)132(134,105-149-111(141-64-54-99(169-45)91-78-123(17,18)161(37)124(19,20)79-91)155-112(150-105)142-65-55-100(170-46)92-80-125(21,22)162(38)126(23,24)81-92)106-151-113(143-66-56-101(171-47)93-82-127(25,26)163(39)128(27,28)83-93)156-114(152-106)144-67-57-102(172-48)94-84-129(29,30)164(40)130(31,32)85-94/h87-102,135-136H,49-86,133-134H2,1-48H3,(H2,137,138,145,146,153)(H2,139,140,147,148,154)(H2,141,142,149,150,155)(H2,143,144,151,152,156)
• InChIKey: RTAZGYRLWCLJKT-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 426.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 61
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2413.67
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine (CID 19367387) is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine is COC(CCNc1nc(NCCC(OC)C2CC(C)(C)N(C)C(C)(C)C2)nc(C(N)(c2nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)n2)C(CNCCNCCCN)(c2nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)N(C)C(C)(C)C3)n2)n1)C1CC(C)(C)N(C)C(C)(C)C1.

What is the InChIKey of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is RTAZGYRLWCLJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H250N32O8/c1-115(2)70-87(71-116(3,4)157(115)33)95(165-41)50-60-137-107-145-103(146-108(153-107)138-61-51-96(166-42)88-72-117(5,6)158(34)118(7,8)73-88)131(86-136-69-68-135-59-49-58-133,104-147-109(139-62-52-97(167-43)89-74-119(9,10)159(35)120(11,12)75-89)154-110(148-104)140-63-53-98(168-44)90-76-121(13,14)160(36)122(15,16)77-90)132(134,105-149-111(141-64-54-99(169-45)91-78-123(17,18)161(37)124(19,20)79-91)155-112(150-105)142-65-55-100(170-46)92-80-125(21,22)162(38)126(23,24)81-92)106-151-113(143-66-56-101(171-47)93-82-127(25,26)163(39)128(27,28)83-93)156-114(152-106)144-67-57-102(172-48)94-84-129(29,30)164(40)130(31,32)85-94/h87-102,135-136H,49-86,133-134H2,1-48H3,(H2,137,138,145,146,153)(H2,139,140,147,148,154)(H2,141,142,149,150,155)(H2,143,144,151,152,156).

What are the key properties of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine?

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2413.67 g/mol, XLogP of 18.87, 61 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).