tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate

C34H49N5O7Si — CID 67955259

About tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 67955259) has the molecular formula C34H49N5O7Si and a molecular weight of 667.88 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate
• PubChem CID: 67955259
• Molecular Formula: C34H49N5O7Si
• Molecular Weight: 667.88 g/mol
• Exact Mass: 667.34
• IUPAC Name: tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate
• SMILES: COc1ccc(-c2ncnc3c(C(=O)N[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4O)c(C)n(COCC[Si](C)(C)C)c23)c(OCC2CC2)c1
• InChI: InChI=1S/C34H49N5O7Si/c1-21-28(32(41)37-25-16-38(17-26(25)40)33(42)46-34(2,3)4)30-31(39(21)20-44-13-14-47(6,7)8)29(35-19-36-30)24-12-11-23(43-5)15-27(24)45-18-22-9-10-22/h11-12,15,19,22,25-26,40H,9-10,13-14,16-18,20H2,1-8H3,(H,37,41)/t25-,26-/m1/s1
• InChIKey: CARSZHVPSZQFSA-CLJLJLNGSA-N
• XLogP: 5.23
• TPSA: 137.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.88
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate (CID 67955259) is tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate is COc1ccc(-c2ncnc3c(C(=O)N[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4O)c(C)n(COCC[Si](C)(C)C)c23)c(OCC2CC2)c1.

What is the InChIKey of tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate?

The InChIKey is CARSZHVPSZQFSA-CLJLJLNGSA-N. The full InChI is InChI=1S/C34H49N5O7Si/c1-21-28(32(41)37-25-16-38(17-26(25)40)33(42)46-34(2,3)4)30-31(39(21)20-44-13-14-47(6,7)8)29(35-19-36-30)24-12-11-23(43-5)15-27(24)45-18-22-9-10-22/h11-12,15,19,22,25-26,40H,9-10,13-14,16-18,20H2,1-8H3,(H,37,41)/t25-,26-/m1/s1.

What are the key properties of tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate?

tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 667.88 g/mol, XLogP of 5.23, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67955259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).