1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine

C28H57N3O4Si3 — CID 165081348

About 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine

1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine (PubChem CID 165081348) has the molecular formula C28H57N3O4Si3 and a molecular weight of 584.04 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine
• PubChem CID: 165081348
• Molecular Formula: C28H57N3O4Si3
• Molecular Weight: 584.04 g/mol
• Exact Mass: 583.37
• IUPAC Name: 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine
• SMILES: C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H57N3O4Si3/c1-20-30-22(29)17-18-31(20)25-24(35-38(15,16)28(8,9)10)23(34-37(13,14)27(5,6)7)21(33-25)19-32-36(11,12)26(2,3)4/h17-18,21,23-25H,1,19H2,2-16H3,(H2,29,30)/t21-,23+,24?,25-/m1/s1
• InChIKey: PACLKJDCVPHGLT-AMXQZFSZSA-N
• XLogP: 7.17
• TPSA: 78.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.04
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
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 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine?

The IUPAC name of 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine (CID 165081348) is 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine.

What is the SMILES notation for 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine?

The canonical SMILES for 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine is C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine?

The InChIKey is PACLKJDCVPHGLT-AMXQZFSZSA-N. The full InChI is InChI=1S/C28H57N3O4Si3/c1-20-30-22(29)17-18-31(20)25-24(35-38(15,16)28(8,9)10)23(34-37(13,14)27(5,6)7)21(33-25)19-32-36(11,12)26(2,3)4/h17-18,21,23-25H,1,19H2,2-16H3,(H2,29,30)/t21-,23+,24?,25-/m1/s1.

What are the key properties of 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine?

1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine has a molecular weight of 584.04 g/mol, XLogP of 7.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine is sourced from PubChem (CID 165081348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).