4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one

C81H139N34O26P7 — CID 155764212

About 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one

4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one (PubChem CID 155764212) has the molecular formula C81H139N34O26P7 and a molecular weight of 2222.03 g/mol. Its IUPAC name is 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one
• PubChem CID: 155764212
• Molecular Formula: C81H139N34O26P7
• Molecular Weight: 2222.03 g/mol
• Exact Mass: 2220.88
• IUPAC Name: 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one
• SMILES: CC1CN(P(=O)(OCC2CN(C(C)C)CC(n3ccc(N)nc3=O)O2)N(C)C)CC(COP(=O)(N(C)C)N2CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CC(COP(=O)(N(C)C)N5CC(COP(=O)(N(C)C)N6CC(COP(=O)(C(C)C)N(C)C)OC(n7ccc(N)nc7=O)C6)OC(n6cnc7c(N)ncnc76)C5)OC(n5ccc(N)nc5=O)C4)OC(n4ccc(N)nc4=O)C3)OC(n3ccc(N)nc3=O)C2)O1
• InChI: InChI=1S/C81H139N34O26P7/c1-53(2)103-31-56(136-68(38-103)110-25-20-63(82)91-77(110)116)45-129-143(122,97(8)9)104-30-55(5)135-57(32-104)46-130-144(123,98(10)11)106-34-59(138-70(40-106)112-27-22-65(84)93-79(112)118)47-131-146(125,100(14)15)107-35-60(139-71(41-107)113-28-23-66(85)94-80(113)119)48-132-147(126,101(16)17)108-36-61(140-72(42-108)114-29-24-67(86)95-81(114)120)49-133-148(127,102(18)19)109-37-62(141-73(43-109)115-52-90-74-75(87)88-51-89-76(74)115)50-134-145(124,99(12)13)105-33-58(44-128-142(121,54(3)4)96(6)7)137-69(39-105)111-26-21-64(83)92-78(111)117/h20-29,51-62,68-73H,30-50H2,1-19H3,(H2,82,91,116)(H2,83,92,117)(H2,84,93,118)(H2,85,94,119)(H2,86,95,120)(H2,87,88,89)
• InChIKey: DEFJDSFLTUXPBL-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 668.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 42
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.03
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one (CID 155764212) is 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one is CC1CN(P(=O)(OCC2CN(C(C)C)CC(n3ccc(N)nc3=O)O2)N(C)C)CC(COP(=O)(N(C)C)N2CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CC(COP(=O)(N(C)C)N5CC(COP(=O)(N(C)C)N6CC(COP(=O)(C(C)C)N(C)C)OC(n7ccc(N)nc7=O)C6)OC(n6cnc7c(N)ncnc76)C5)OC(n5ccc(N)nc5=O)C4)OC(n4ccc(N)nc4=O)C3)OC(n3ccc(N)nc3=O)C2)O1.

What is the InChIKey of 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one?

The InChIKey is DEFJDSFLTUXPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H139N34O26P7/c1-53(2)103-31-56(136-68(38-103)110-25-20-63(82)91-77(110)116)45-129-143(122,97(8)9)104-30-55(5)135-57(32-104)46-130-144(123,98(10)11)106-34-59(138-70(40-106)112-27-22-65(84)93-79(112)118)47-131-146(125,100(14)15)107-35-60(139-71(41-107)113-28-23-66(85)94-80(113)119)48-132-147(126,101(16)17)108-36-61(140-72(42-108)114-29-24-67(86)95-81(114)120)49-133-148(127,102(18)19)109-37-62(141-73(43-109)115-52-90-74-75(87)88-51-89-76(74)115)50-134-145(124,99(12)13)105-33-58(44-128-142(121,54(3)4)96(6)7)137-69(39-105)111-26-21-64(83)92-78(111)117/h20-29,51-62,68-73H,30-50H2,1-19H3,(H2,82,91,116)(H2,83,92,117)(H2,84,93,118)(H2,85,94,119)(H2,86,95,120)(H2,87,88,89).

What are the key properties of 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one?

4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one has a molecular weight of 2222.03 g/mol, XLogP of 1.60, 42 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one is sourced from PubChem (CID 155764212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).