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-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane

C86H175ClN10O12Si9 — CID 176526522

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-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane

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-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane (PubChem CID 176526522) has the molecular formula C86H175ClN10O12Si9 and a molecular weight of 1829.63 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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane.

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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane
• PubChem CID: 176526522
• Molecular Formula: C86H175ClN10O12Si9
• Molecular Weight: 1829.63 g/mol
• Exact Mass: 1827.10
• 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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane
• SMILES: C.C=C1N=C(Cl)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.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.[H]/N=C(\N)NC1=NC(=C)N([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1
• InChI: InChI=1S/C29H59N5O4Si3.C28H55ClN2O4Si3.C28H57N3O4Si3.CH4/c1-20-32-22(33-26(30)31)17-18-34(20)25-24(38-41(15,16)29(8,9)10)23(37-40(13,14)28(5,6)7)21(36-25)19-35-39(11,12)27(2,3)4;2*1-20-30-22(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,(H4,30,31,32,33);17-18,21,23-25H,1,19H2,2-16H3;17-18,21,23-25H,1,19H2,2-16H3,(H2,29,30);1H4/t3*21-,23+,24?,25-;/m111./s1
• InChIKey: VEGQQNYDIJYVGP-VEEWZICFSA-N
• XLogP: 22.96
• TPSA: 245.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.63
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane?

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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane (CID 176526522) 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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane.

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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane?

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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane is C.C=C1N=C(Cl)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.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.[H]/N=C(\N)NC1=NC(=C)N([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1.

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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane?

The InChIKey is VEGQQNYDIJYVGP-VEEWZICFSA-N. The full InChI is InChI=1S/C29H59N5O4Si3.C28H55ClN2O4Si3.C28H57N3O4Si3.CH4/c1-20-32-22(33-26(30)31)17-18-34(20)25-24(38-41(15,16)29(8,9)10)23(37-40(13,14)28(5,6)7)21(36-25)19-35-39(11,12)27(2,3)4;2*1-20-30-22(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,(H4,30,31,32,33);17-18,21,23-25H,1,19H2,2-16H3;17-18,21,23-25H,1,19H2,2-16H3,(H2,29,30);1H4/t3*21-,23+,24?,25-;/m111./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-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane?

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-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane has a molecular weight of 1829.63 g/mol, XLogP of 22.96, 24 rotatable bonds, 4 hydrogen bond donors, and 20 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;1-[1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-yl]guanidine;[(2R,3S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(4-chloro-2-methylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane;methane is sourced from PubChem (CID 176526522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).