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

C132H250N32 — CID 19367383

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

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19367383) has the molecular formula C132H250N32 and a molecular weight of 2285.68 g/mol. Its IUPAC name is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 19367383
• Molecular Formula: C132H250N32
• Molecular Weight: 2285.68 g/mol
• Exact Mass: 2284.05
• IUPAC Name: 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• SMILES: CN1C(C)(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)N(C)C(C)(C)C3)nc(C(N)(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)n3)C(CNCCNCCCN)(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)n3)n2)CC1(C)C
• InChI: InChI=1S/C132H250N32/c1-115(2)78-95(79-116(3,4)157(115)33)58-41-49-68-137-107-145-103(146-108(153-107)138-69-50-42-59-96-80-117(5,6)158(34)118(7,8)81-96)131(94-136-77-76-135-67-57-66-133,104-147-109(139-70-51-43-60-97-82-119(9,10)159(35)120(11,12)83-97)154-110(148-104)140-71-52-44-61-98-84-121(13,14)160(36)122(15,16)85-98)132(134,105-149-111(141-72-53-45-62-99-86-123(17,18)161(37)124(19,20)87-99)155-112(150-105)142-73-54-46-63-100-88-125(21,22)162(38)126(23,24)89-100)106-151-113(143-74-55-47-64-101-90-127(25,26)163(39)128(27,28)91-101)156-114(152-106)144-75-56-48-65-102-92-129(29,30)164(40)130(31,32)93-102/h95-102,135-136H,41-94,133-134H2,1-40H3,(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: NZNYPUVOYSDKPE-UHFFFAOYSA-N
• XLogP: 24.99
• TPSA: 352.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 61
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2285.68
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19367383) is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CN1C(C)(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)N(C)C(C)(C)C3)nc(C(N)(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)n3)C(CNCCNCCCN)(c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)nc(NCCCCC4CC(C)(C)N(C)C(C)(C)C4)n3)n2)CC1(C)C.

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

The InChIKey is NZNYPUVOYSDKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H250N32/c1-115(2)78-95(79-116(3,4)157(115)33)58-41-49-68-137-107-145-103(146-108(153-107)138-69-50-42-59-96-80-117(5,6)158(34)118(7,8)81-96)131(94-136-77-76-135-67-57-66-133,104-147-109(139-70-51-43-60-97-82-119(9,10)159(35)120(11,12)83-97)154-110(148-104)140-71-52-44-61-98-84-121(13,14)160(36)122(15,16)85-98)132(134,105-149-111(141-72-53-45-62-99-86-123(17,18)161(37)124(19,20)87-99)155-112(150-105)142-73-54-46-63-100-88-125(21,22)162(38)126(23,24)89-100)106-151-113(143-74-55-47-64-101-90-127(25,26)163(39)128(27,28)91-101)156-114(152-106)144-75-56-48-65-102-92-129(29,30)164(40)130(31,32)93-102/h95-102,135-136H,41-94,133-134H2,1-40H3,(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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2285.68 g/mol, XLogP of 24.99, 61 rotatable bonds, 12 hydrogen bond donors, and 32 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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19367383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).