2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane

C32H54N10O7P2 — CID 160634854

About 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane

2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane (PubChem CID 160634854) has the molecular formula C32H54N10O7P2 and a molecular weight of 752.79 g/mol. Its IUPAC name is 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane.

Molecular Properties

• Compound Name: 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane
• PubChem CID: 160634854
• Molecular Formula: C32H54N10O7P2
• Molecular Weight: 752.79 g/mol
• Exact Mass: 752.37
• IUPAC Name: 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane
• SMILES: CCC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1O.CCP(C)(C)=O.CP(C)(=O)COC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1CO
• InChI: InChI=1S/C15H24N5O4P.C13H19N5O2.C4H11OP/c1-25(2,23)8-24-11-6-20(5-10(11)7-21)4-9-3-17-13-12(9)18-15(16)19-14(13)22;1-2-7-4-18(6-9(7)19)5-8-3-15-11-10(8)16-13(14)17-12(11)20;1-4-6(2,3)5/h3,10-11,17,21H,4-8H2,1-2H3,(H3,16,18,19,22);3,7,9,15,19H,2,4-6H2,1H3,(H3,14,16,17,20);4H2,1-3H3
• InChIKey: RIKFBGXUYKPPBN-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 265.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	752.79
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane?

The IUPAC name of 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane (CID 160634854) is 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane.

What is the SMILES notation for 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane?

The canonical SMILES for 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane is CCC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1O.CCP(C)(C)=O.CP(C)(=O)COC1CN(Cc2c[nH]c3c(=O)[nH]c(N)nc23)CC1CO.

What is the InChIKey of 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane?

The InChIKey is RIKFBGXUYKPPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N5O4P.C13H19N5O2.C4H11OP/c1-25(2,23)8-24-11-6-20(5-10(11)7-21)4-9-3-17-13-12(9)18-15(16)19-14(13)22;1-2-7-4-18(6-9(7)19)5-8-3-15-11-10(8)16-13(14)17-12(11)20;1-4-6(2,3)5/h3,10-11,17,21H,4-8H2,1-2H3,(H3,16,18,19,22);3,7,9,15,19H,2,4-6H2,1H3,(H3,14,16,17,20);4H2,1-3H3.

What are the key properties of 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane?

2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane has a molecular weight of 752.79 g/mol, XLogP of 1.89, 10 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[[3-(dimethylphosphorylmethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[(3-ethyl-4-hydroxypyrrolidin-1-yl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;1-dimethylphosphorylethane is sourced from PubChem (CID 160634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).