2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol

C10H10FN5O3 — CID 54101612

IUPAC2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1OC(=CF)C(O)C1O
InChIInChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)
InChIKeyNAWIFPQLACUTSO-UHFFFAOYSA-N
MW267.22 g/mol
LogP-0.53
Rot. Bonds1

About 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol

2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol (PubChem CID 54101612) has the molecular formula C10H10FN5O3 and a molecular weight of 267.22 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
PubChem CID54101612
Molecular FormulaC10H10FN5O3
Molecular Weight267.22 g/mol
Exact Mass267.08
IUPAC Name2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1OC(=CF)C(O)C1O
InChIInChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)
InChIKeyNAWIFPQLACUTSO-UHFFFAOYSA-N
XLogP-0.53
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4S,5E)-2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
CID 14803094
(2S)-2-amino-4-[(E)-[(3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-ylidene]methyl]sulfanylbutanoic acid
CID 5326531
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethenyloxolane-3,4-diol
CID 10400520
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
CID 67588399
(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
CID 135030783
CID 135030783
(2R,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 7264462
(3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(Z)-2-bromo-2-fluoroethenyl]oxolane-3,4-diol
CID 46875931
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol?
The IUPAC name of 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol (CID 54101612) is 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol is Nc1ncnc2c1ncn2C1OC(=CF)C(O)C1O.
What is the InChIKey of 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol?
The InChIKey is NAWIFPQLACUTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14).
What are the key properties of 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol?
2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol has a molecular weight of 267.22 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol is sourced from PubChem (CID 54101612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).