[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

C26H35N3O4Si — CID 44626945

About [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 44626945) has the molecular formula C26H35N3O4Si and a molecular weight of 481.67 g/mol. Its IUPAC name is [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 44626945
• Molecular Formula: C26H35N3O4Si
• Molecular Weight: 481.67 g/mol
• Exact Mass: 481.24
• IUPAC Name: [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(-c3ccccc3)ncnc21
• InChI: InChI=1S/C26H35N3O4Si/c1-25(2,3)34(6,7)30-15-19-21-22(33-26(4,5)32-21)24(31-19)29-14-13-18-20(27-16-28-23(18)29)17-11-9-8-10-12-17/h8-14,16,19,21-22,24H,15H2,1-7H3/t19-,21-,22-,24-/m1/s1
• InChIKey: CSCMOUDEEHNNED-VDEHWKIFSA-N
• XLogP: 5.54
• TPSA: 67.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.67
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 44626945) is [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(-c3ccccc3)ncnc21.

What is the InChIKey of [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is CSCMOUDEEHNNED-VDEHWKIFSA-N. The full InChI is InChI=1S/C26H35N3O4Si/c1-25(2,3)34(6,7)30-15-19-21-22(33-26(4,5)32-21)24(31-19)29-14-13-18-20(27-16-28-23(18)29)17-11-9-8-10-12-17/h8-14,16,19,21-22,24H,15H2,1-7H3/t19-,21-,22-,24-/m1/s1.

What are the key properties of [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?

[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 481.67 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 44626945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).