(3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione

C26H36N2O6Si — CID 10649071

IUPAC(3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@]1(O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2)Cc2cc(=O)[nH]c(=O)n21
InChIInChI=1S/C26H36N2O6Si/c1-24(2,3)35(6,7)31-15-19-21-22(34-25(4,5)33-21)26(32-19)18(16-11-9-8-10-12-16)13-17-14-20(29)27-23(30)28(17)26/h8-12,14,18-19,21-22H,13,15H2,1-7H3,(H,27,29,30)/t18-,19-,21-,22-,26-/m1/s1
InChIKeyQSOGDRFOSPDZMR-QVCZLDJNSA-N
MW500.67 g/mol
LogP3.47
Rot. Bonds4

About (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione

(3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione (PubChem CID 10649071) has the molecular formula C26H36N2O6Si and a molecular weight of 500.67 g/mol. Its IUPAC name is (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione.

Molecular Properties

Compound Name(3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione
PubChem CID10649071
Molecular FormulaC26H36N2O6Si
Molecular Weight500.67 g/mol
Exact Mass500.23
IUPAC Name(3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@]1(O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2)Cc2cc(=O)[nH]c(=O)n21
InChIInChI=1S/C26H36N2O6Si/c1-24(2,3)35(6,7)31-15-19-21-22(34-25(4,5)33-21)26(32-19)18(16-11-9-8-10-12-16)13-17-14-20(29)27-23(30)28(17)26/h8-12,14,18-19,21-22H,13,15H2,1-7H3,(H,27,29,30)/t18-,19-,21-,22-,26-/m1/s1
InChIKeyQSOGDRFOSPDZMR-QVCZLDJNSA-N
XLogP3.47
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.67
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione with MolForge

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Related Compounds

1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(dimethylamino)pyrimidine-2,4-dione
CID 67006499
(2R,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,8,8-trimethyl-5-oxa-1,12-diaza-8-silatricyclo[7.4.0.02,6]tridec-9-ene-11,13-dione
CID 11376152
[(3aR,6R,6aR)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 135012265
[(4R,5S)-5-[(3aR,4R,7aR)-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 102396780
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 15674842
6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione
CID 102272427
ethyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate
CID 102120982
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione
CID 11028465
(4R,4aS,8aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
CID 46914553
(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 101444428
(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 11307283
(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione
CID 11369123

Frequently Asked Questions

What is the IUPAC name of (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione?
The IUPAC name of (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione (CID 10649071) is (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione.
What is the SMILES notation for (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione?
The canonical SMILES for (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione is CC1(C)O[C@H]2[C@@H](O1)[C@]1(O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2)Cc2cc(=O)[nH]c(=O)n21.
What is the InChIKey of (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione?
The InChIKey is QSOGDRFOSPDZMR-QVCZLDJNSA-N. The full InChI is InChI=1S/C26H36N2O6Si/c1-24(2,3)35(6,7)31-15-19-21-22(34-25(4,5)33-21)26(32-19)18(16-11-9-8-10-12-16)13-17-14-20(29)27-23(30)28(17)26/h8-12,14,18-19,21-22H,13,15H2,1-7H3,(H,27,29,30)/t18-,19-,21-,22-,26-/m1/s1.
What are the key properties of (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione?
(3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione has a molecular weight of 500.67 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,6R,6'R,6'aR,7R)-6'-[[tert-butyl(dimethyl)silyl]oxymethyl]-2',2'-dimethyl-6-phenylspiro[5,6-dihydropyrrolo[1,2-c]pyrimidine-7,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-1,3-dione is sourced from PubChem (CID 10649071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).