4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

C25H43N5O5Si2 — CID 90802374

About 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 90802374) has the molecular formula C25H43N5O5Si2 and a molecular weight of 549.82 g/mol. Its IUPAC name is 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 90802374
• Molecular Formula: C25H43N5O5Si2
• Molecular Weight: 549.82 g/mol
• Exact Mass: 549.28
• IUPAC Name: 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
• SMILES: CC1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC2OC1n1cc(C(N)=O)c2c(N)ncnc21
• InChI: InChI=1S/C25H43N5O5Si2/c1-13(2)36(14(3)4)32-11-19-21(34-37(35-36,15(5)6)16(7)8)17(9)25(33-19)30-10-18(23(27)31)20-22(26)28-12-29-24(20)30/h10,12-17,19,21,25H,11H2,1-9H3,(H2,27,31)(H2,26,28,29)
• InChIKey: NHOPJGWSNYEEGK-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 136.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.82
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 90802374) is 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is CC1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC2OC1n1cc(C(N)=O)c2c(N)ncnc21.

What is the InChIKey of 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is NHOPJGWSNYEEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O5Si2/c1-13(2)36(14(3)4)32-11-19-21(34-37(35-36,15(5)6)16(7)8)17(9)25(33-19)30-10-18(23(27)31)20-22(26)28-12-29-24(20)30/h10,12-17,19,21,25H,11H2,1-9H3,(H2,27,31)(H2,26,28,29).

What are the key properties of 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?

4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 549.82 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 90802374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).