2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate

C43H75F3N10O15P2SSi — CID 161402228

About 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate

2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate (PubChem CID 161402228) has the molecular formula C43H75F3N10O15P2SSi and a molecular weight of 1151.22 g/mol. Its IUPAC name is 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate
• PubChem CID: 161402228
• Molecular Formula: C43H75F3N10O15P2SSi
• Molecular Weight: 1151.22 g/mol
• Exact Mass: 1150.43
• IUPAC Name: 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate
• SMILES: CC(C)(C)[Si](C)(C)OCC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1O.CCOP(=O)(CCOC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1CO)OCC.CCOP(=O)(CCOS(=O)(=O)C(F)(F)F)OCC
• InChI: InChI=1S/C18H30N5O6P.C18H31N5O3Si.C7H14F3O6PS/c1-3-28-30(26,29-4-2)6-5-27-14-10-23(9-13(14)11-24)8-12-7-20-16-15(12)21-18(19)22-17(16)25;1-18(2,3)27(4,5)26-10-12-8-23(9-13(12)24)7-11-6-20-15-14(11)21-17(19)22-16(15)25;1-3-14-17(11,15-4-2)6-5-16-18(12,13)7(8,9)10/h7,13-14,20,24H,3-6,8-11H2,1-2H3,(H3,19,21,22,25);6,12-13,20,24H,7-10H2,1-5H3,(H3,19,21,22,25);3-6H2,1-2H3
• InChIKey: VUJPGMNWQGVEOA-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 354.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1151.22
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate?

The IUPAC name of 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate (CID 161402228) is 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate.

What is the SMILES notation for 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate?

The canonical SMILES for 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate is CC(C)(C)[Si](C)(C)OCC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1O.CCOP(=O)(CCOC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1CO)OCC.CCOP(=O)(CCOS(=O)(=O)C(F)(F)F)OCC.

What is the InChIKey of 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate?

The InChIKey is VUJPGMNWQGVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N5O6P.C18H31N5O3Si.C7H14F3O6PS/c1-3-28-30(26,29-4-2)6-5-27-14-10-23(9-13(14)11-24)8-12-7-20-16-15(12)21-18(19)22-17(16)25;1-18(2,3)27(4,5)26-10-12-8-23(9-13(12)24)7-11-6-20-15-14(11)21-17(19)22-16(15)25;1-3-14-17(11,15-4-2)6-5-16-18(12,13)7(8,9)10/h7,13-14,20,24H,3-6,8-11H2,1-2H3,(H3,19,21,22,25);6,12-13,20,24H,7-10H2,1-5H3,(H3,19,21,22,25);3-6H2,1-2H3.

What are the key properties of 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate?

2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate has a molecular weight of 1151.22 g/mol, XLogP of 4.68, 24 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate is sourced from PubChem (CID 161402228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).