CID 58521297

C10H11FN5O — CID 58521297

IUPAC—
SMILESC[C@@H]1[CH]O[C@@H](n2cnc3c(N)ncnc32)[C@H]1F
InChIInChI=1S/C10H11FN5O/c1-5-2-17-10(6(5)11)16-4-15-7-8(12)13-3-14-9(7)16/h2-6,10H,1H3,(H2,12,13,14)/t5-,6+,10-/m1/s1
InChIKeyCLLRIOSFMXJNRA-GOZTUDAPSA-N
MW236.23 g/mol
LogP1.07
Rot. Bonds1

About CID 58521297

CID 58521297 (PubChem CID 58521297) has the molecular formula C10H11FN5O and a molecular weight of 236.23 g/mol.

Molecular Properties

Compound NameCID 58521297
PubChem CID58521297
Molecular FormulaC10H11FN5O
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name—
SMILESC[C@@H]1[CH]O[C@@H](n2cnc3c(N)ncnc32)[C@H]1F
InChIInChI=1S/C10H11FN5O/c1-5-2-17-10(6(5)11)16-4-15-7-8(12)13-3-14-9(7)16/h2-6,10H,1H3,(H2,12,13,14)/t5-,6+,10-/m1/s1
InChIKeyCLLRIOSFMXJNRA-GOZTUDAPSA-N
XLogP1.07
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
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(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
CID 21145488
2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
CID 21338241
methyl (2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxyoxolane-2-carboxylate
CID 164788451
(2R,3S,4S,5R,6S,7R)-7-(6-aminopurin-9-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940294
[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol
CID 163438236
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
CID 67588399
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethenyloxolane-3,4-diol
CID 10400520
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
CID 135030783
CID 135030783

Frequently Asked Questions

What is the IUPAC name of CID 58521297?
The IUPAC name of CID 58521297 (CID 58521297) is not available.
What is the SMILES notation for CID 58521297?
The canonical SMILES for CID 58521297 is C[C@@H]1[CH]O[C@@H](n2cnc3c(N)ncnc32)[C@H]1F.
What is the InChIKey of CID 58521297?
The InChIKey is CLLRIOSFMXJNRA-GOZTUDAPSA-N. The full InChI is InChI=1S/C10H11FN5O/c1-5-2-17-10(6(5)11)16-4-15-7-8(12)13-3-14-9(7)16/h2-6,10H,1H3,(H2,12,13,14)/t5-,6+,10-/m1/s1.
What are the key properties of CID 58521297?
CID 58521297 has a molecular weight of 236.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58521297 is sourced from PubChem (CID 58521297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).