[(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol

C13H18N6O2 — CID 90758707

IUPAC[(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol
SMILESNc1nc(NC2CC2)c2c(n1)N([C@H]1C=C[C@@H](CO)O1)CN2
InChIInChI=1S/C13H18N6O2/c14-13-17-11(16-7-1-2-7)10-12(18-13)19(6-15-10)9-4-3-8(5-20)21-9/h3-4,7-9,15,20H,1-2,5-6H2,(H3,14,16,17,18)/t8-,9+/m0/s1
InChIKeyBGYWNOYPQAMVLK-DTWKUNHWSA-N
MW290.33 g/mol
LogP0.10
Rot. Bonds4

About [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol

[(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol (PubChem CID 90758707) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol
PubChem CID90758707
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name[(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol
SMILESNc1nc(NC2CC2)c2c(n1)N([C@H]1C=C[C@@H](CO)O1)CN2
InChIInChI=1S/C13H18N6O2/c14-13-17-11(16-7-1-2-7)10-12(18-13)19(6-15-10)9-4-3-8(5-20)21-9/h3-4,7-9,15,20H,1-2,5-6H2,(H3,14,16,17,18)/t8-,9+/m0/s1
InChIKeyBGYWNOYPQAMVLK-DTWKUNHWSA-N
XLogP0.10
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol
CID 178006644
[(2S,5R)-5-[2-amino-6-(aziridin-1-yl)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
CID 56967780
[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol
CID 137401197
[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol
CID 156545343
methyl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopentylamino)-7,8-dihydropurin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 123731830
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172904
[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172905
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
(2R,3S,4S)-3-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 69457739
[5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol
CID 134425237

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol (CID 90758707) is [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol is Nc1nc(NC2CC2)c2c(n1)N([C@H]1C=C[C@@H](CO)O1)CN2.
What is the InChIKey of [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is BGYWNOYPQAMVLK-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H18N6O2/c14-13-17-11(16-7-1-2-7)10-12(18-13)19(6-15-10)9-4-3-8(5-20)21-9/h3-4,7-9,15,20H,1-2,5-6H2,(H3,14,16,17,18)/t8-,9+/m0/s1.
What are the key properties of [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol?
[(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 290.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 90758707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).