1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C86H135N41O23P6 — CID 166008732

About 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 166008732) has the molecular formula C86H135N41O23P6 and a molecular weight of 2297.13 g/mol. Its IUPAC name is 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 166008732
• Molecular Formula: C86H135N41O23P6
• Molecular Weight: 2297.13 g/mol
• Exact Mass: 2295.91
• IUPAC Name: 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn(C2CN(P(=O)(OCC3CN(P(=O)(OCC4CN(C(C)C)CC(n5cnc6c(N)ncnc65)O4)N(C)C)CC(n4ccc(N)nc4=O)O3)N(C)C)CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CC(CN5CC(COP(=O)(N(C)C)N6CC(COP(=O)(C(C)C)N(C)C)OC(n7cnc8c(N)ncnc87)C6)OC(n6cnc7c(N)ncnc76)C5)OC(n5ccc(N)nc5=O)C4)OC(n4cnc5c(N)ncnc54)C3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C86H135N41O23P6/c1-52(2)115-25-57(146-65(32-115)125-49-102-72-76(90)94-45-98-80(72)125)40-140-153(134,110(10)11)117-28-59(147-67(34-117)122-21-19-63(88)106-85(122)130)41-142-154(135,111(12)13)118-29-60(148-68(35-118)123-22-54(5)83(128)107-86(123)131)42-143-156(137,113(16)17)120-30-61(150-70(37-120)127-51-104-74-78(92)96-47-100-82(74)127)43-141-152(133,109(8)9)116-26-55(144-66(33-116)121-20-18-62(87)105-84(121)129)23-114-24-56(145-64(31-114)124-48-101-71-75(89)93-44-97-79(71)124)39-139-155(136,112(14)15)119-27-58(38-138-151(132,53(3)4)108(6)7)149-69(36-119)126-50-103-73-77(91)95-46-99-81(73)126/h18-22,44-53,55-61,64-70H,23-43H2,1-17H3,(H2,87,105,129)(H2,88,106,130)(H2,89,93,97)(H2,90,94,98)(H2,91,95,99)(H2,92,96,100)(H,107,128,131)
• InChIKey: NQKFQRXBXNZCQB-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 719.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 52
• Rotatable Bonds: 40
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2297.13
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 166008732) is 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CN(P(=O)(OCC3CN(P(=O)(OCC4CN(C(C)C)CC(n5cnc6c(N)ncnc65)O4)N(C)C)CC(n4ccc(N)nc4=O)O3)N(C)C)CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CC(CN5CC(COP(=O)(N(C)C)N6CC(COP(=O)(C(C)C)N(C)C)OC(n7cnc8c(N)ncnc87)C6)OC(n6cnc7c(N)ncnc76)C5)OC(n5ccc(N)nc5=O)C4)OC(n4cnc5c(N)ncnc54)C3)O2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is NQKFQRXBXNZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H135N41O23P6/c1-52(2)115-25-57(146-65(32-115)125-49-102-72-76(90)94-45-98-80(72)125)40-140-153(134,110(10)11)117-28-59(147-67(34-117)122-21-19-63(88)106-85(122)130)41-142-154(135,111(12)13)118-29-60(148-68(35-118)123-22-54(5)83(128)107-86(123)131)42-143-156(137,113(16)17)120-30-61(150-70(37-120)127-51-104-74-78(92)96-47-100-82(74)127)43-141-152(133,109(8)9)116-26-55(144-66(33-116)121-20-18-62(87)105-84(121)129)23-114-24-56(145-64(31-114)124-48-101-71-75(89)93-44-97-79(71)124)39-139-155(136,112(14)15)119-27-58(38-138-151(132,53(3)4)108(6)7)149-69(36-119)126-50-103-73-77(91)95-46-99-81(73)126/h18-22,44-53,55-61,64-70H,23-43H2,1-17H3,(H2,87,105,129)(H2,88,106,130)(H2,89,93,97)(H2,90,94,98)(H2,91,95,99)(H2,92,96,100)(H,107,128,131).

What are the key properties of 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2297.13 g/mol, XLogP of 1.63, 40 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[2-(6-aminopurin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]methyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 166008732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).