9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine

C16H23ClFN5O2Si — CID 11025765

IUPAC9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C(F)[C@H](n2cnc3c(Cl)nc(N)nc32)O1
InChIInChI=1S/C16H23ClFN5O2Si/c1-16(2,3)26(4,5)24-7-9-6-10(18)14(25-9)23-8-20-11-12(17)21-15(19)22-13(11)23/h6,8-9,14H,7H2,1-5H3,(H2,19,21,22)/t9-,14+/m0/s1
InChIKeyBGQLLKXRHKVWOZ-LKFCYVNXSA-N
MW399.93 g/mol
LogP3.83
Rot. Bonds4

About 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine

9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine (PubChem CID 11025765) has the molecular formula C16H23ClFN5O2Si and a molecular weight of 399.93 g/mol. Its IUPAC name is 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine.

Molecular Properties

Compound Name9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine
PubChem CID11025765
Molecular FormulaC16H23ClFN5O2Si
Molecular Weight399.93 g/mol
Exact Mass399.13
IUPAC Name9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C(F)[C@H](n2cnc3c(Cl)nc(N)nc32)O1
InChIInChI=1S/C16H23ClFN5O2Si/c1-16(2,3)26(4,5)24-7-9-6-10(18)14(25-9)23-8-20-11-12(17)21-15(19)22-13(11)23/h6,8-9,14H,7H2,1-5H3,(H2,19,21,22)/t9-,14+/m0/s1
InChIKeyBGQLLKXRHKVWOZ-LKFCYVNXSA-N
XLogP3.83
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one
CID 15172865
(2R,3R,4S,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14806024
9-[(1S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-6-chloropurin-2-amine
CID 10691994
(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-3-ol
CID 71014039
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine
CID 11101039
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
(2R,3R,4R,5S)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 126970527
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
CID 11071526
9-[(2R,4S,5S,9S)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-yl]-6-chloropurin-2-amine
CID 11192108
tert-butyl N-[(2R)-2-[[2-(2-amino-6-chloropurin-9-yl)acetyl]amino]-3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 46910444
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 10788628

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine?
The IUPAC name of 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine (CID 11025765) is 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine.
What is the SMILES notation for 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine?
The canonical SMILES for 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine is CC(C)(C)[Si](C)(C)OC[C@@H]1C=C(F)[C@H](n2cnc3c(Cl)nc(N)nc32)O1.
What is the InChIKey of 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine?
The InChIKey is BGQLLKXRHKVWOZ-LKFCYVNXSA-N. The full InChI is InChI=1S/C16H23ClFN5O2Si/c1-16(2,3)26(4,5)24-7-9-6-10(18)14(25-9)23-8-20-11-12(17)21-15(19)22-13(11)23/h6,8-9,14H,7H2,1-5H3,(H2,19,21,22)/t9-,14+/m0/s1.
What are the key properties of 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine?
9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine has a molecular weight of 399.93 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl]-6-chloropurin-2-amine is sourced from PubChem (CID 11025765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).