2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one

C35H50N6O4Si2 — CID 135516573

IUPAC2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(Nc4cc5c(cc4N)Cc4ccccc4-5)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H50N6O4Si2/c1-34(2,3)46(7,8)43-19-28-27(45-47(9,10)35(4,5)6)18-29(44-28)41-20-37-30-31(41)39-33(40-32(30)42)38-26-17-24-22(16-25(26)36)15-21-13-11-12-14-23(21)24/h11-14,16-17,20,27-29H,15,18-19,36H2,1-10H3,(H2,38,39,40,42)/t27-,28+,29+/m0/s1
InChIKeyAMFVDZBZGYLKCC-ZGIBFIJWSA-N
MW675.00 g/mol
LogP7.72
Rot. Bonds8

About 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one

2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one (PubChem CID 135516573) has the molecular formula C35H50N6O4Si2 and a molecular weight of 675.00 g/mol. Its IUPAC name is 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
PubChem CID135516573
Molecular FormulaC35H50N6O4Si2
Molecular Weight675.00 g/mol
Exact Mass674.34
IUPAC Name2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(Nc4cc5c(cc4N)Cc4ccccc4-5)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H50N6O4Si2/c1-34(2,3)46(7,8)43-19-28-27(45-47(9,10)35(4,5)6)18-29(44-28)41-20-37-30-31(41)39-33(40-32(30)42)38-26-17-24-22(16-25(26)36)15-21-13-11-12-14-23(21)24/h11-14,16-17,20,27-29H,15,18-19,36H2,1-10H3,(H2,38,39,40,42)/t27-,28+,29+/m0/s1
InChIKeyAMFVDZBZGYLKCC-ZGIBFIJWSA-N
XLogP7.72
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.00
LogP ≤ 57.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one (CID 135516573) is 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(Nc4cc5c(cc4N)Cc4ccccc4-5)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one?
The InChIKey is AMFVDZBZGYLKCC-ZGIBFIJWSA-N. The full InChI is InChI=1S/C35H50N6O4Si2/c1-34(2,3)46(7,8)43-19-28-27(45-47(9,10)35(4,5)6)18-29(44-28)41-20-37-30-31(41)39-33(40-32(30)42)38-26-17-24-22(16-25(26)36)15-21-13-11-12-14-23(21)24/h11-14,16-17,20,27-29H,15,18-19,36H2,1-10H3,(H2,38,39,40,42)/t27-,28+,29+/m0/s1.
What are the key properties of 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one?
2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one has a molecular weight of 675.00 g/mol, XLogP of 7.72, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-9H-fluoren-3-yl)amino]-9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 135516573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).