[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol

C11H15FN6O2 — CID 66696300

IUPAC[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
SMILESCC1(F)C[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C11H15FN6O2/c1-11(12)2-5(3-19)20-9(11)18-4-15-6-7(13)16-10(14)17-8(6)18/h4-5,9,19H,2-3H2,1H3,(H4,13,14,16,17)/t5-,9+,11?/m0/s1
InChIKeyDIXSTGWZPRDSPK-JJJLSQATSA-N
MW282.28 g/mol
LogP-0.00
Rot. Bonds2

About [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol

[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol (PubChem CID 66696300) has the molecular formula C11H15FN6O2 and a molecular weight of 282.28 g/mol. Its IUPAC name is [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
PubChem CID66696300
Molecular FormulaC11H15FN6O2
Molecular Weight282.28 g/mol
Exact Mass282.12
IUPAC Name[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
SMILESCC1(F)C[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C11H15FN6O2/c1-11(12)2-5(3-19)20-9(11)18-4-15-6-7(13)16-10(14)17-8(6)18/h4-5,9,19H,2-3H2,1H3,(H4,13,14,16,17)/t5-,9+,11?/m0/s1
InChIKeyDIXSTGWZPRDSPK-JJJLSQATSA-N
XLogP-0.00
TPSA125.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90799611
(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90445147
(2S,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-2,4-difluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 134249551
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
4-amino-5-fluoro-1-[3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione
CID 123547254
[[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 157228297
(2R,3R,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-3-ol
CID 71014039
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
(3R,4R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58460922
(2R,3R,4R,5S)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 126970527
CID 155596833
CID 155596833

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol (CID 66696300) is [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol is CC1(F)C[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21.
What is the InChIKey of [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
The InChIKey is DIXSTGWZPRDSPK-JJJLSQATSA-N. The full InChI is InChI=1S/C11H15FN6O2/c1-11(12)2-5(3-19)20-9(11)18-4-15-6-7(13)16-10(14)17-8(6)18/h4-5,9,19H,2-3H2,1H3,(H4,13,14,16,17)/t5-,9+,11?/m0/s1.
What are the key properties of [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol has a molecular weight of 282.28 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 66696300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).