2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile

C11H10N6O4 — CID 165408534

IUPAC2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile
SMILESN#CC1(n2cnc3c(N)ncnc32)OC(CO)=C(O)C1O
InChIInChI=1S/C11H10N6O4/c12-2-11(8(20)7(19)5(1-18)21-11)17-4-16-6-9(13)14-3-15-10(6)17/h3-4,8,18-20H,1H2,(H2,13,14,15)
InChIKeyKDYMIBAGZVJQNN-UHFFFAOYSA-N
MW290.24 g/mol
LogP-1.26
Rot. Bonds2

About 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile

2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile (PubChem CID 165408534) has the molecular formula C11H10N6O4 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile
PubChem CID165408534
Molecular FormulaC11H10N6O4
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC Name2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile
SMILESN#CC1(n2cnc3c(N)ncnc32)OC(CO)=C(O)C1O
InChIInChI=1S/C11H10N6O4/c12-2-11(8(20)7(19)5(1-18)21-11)17-4-16-6-9(13)14-3-15-10(6)17/h3-4,8,18-20H,1H2,(H2,13,14,15)
InChIKeyKDYMIBAGZVJQNN-UHFFFAOYSA-N
XLogP-1.26
TPSA163.33 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(2-triethylsilylethynyl)oxolane-3,4-diol
CID 70147031
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolane-2-carbonitrile
CID 58013914
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
CID 145088486
(2R,3R,4R,5R)-2-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxane-3,4,5-triol
CID 139896147
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
[(2S,3S,5S)-5-(6-aminopurin-9-yl)-5-cyano-2-fluoro-3-hydroxyoxolan-2-yl]methyl 2-methylpropanoate
CID 164881843
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67570457

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile?
The IUPAC name of 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile (CID 165408534) is 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile?
The canonical SMILES for 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile is N#CC1(n2cnc3c(N)ncnc32)OC(CO)=C(O)C1O.
What is the InChIKey of 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile?
The InChIKey is KDYMIBAGZVJQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O4/c12-2-11(8(20)7(19)5(1-18)21-11)17-4-16-6-9(13)14-3-15-10(6)17/h3-4,8,18-20H,1H2,(H2,13,14,15).
What are the key properties of 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile?
2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile has a molecular weight of 290.24 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3H-furan-2-carbonitrile is sourced from PubChem (CID 165408534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).