2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol

C16H23N5O3 — CID 76777733

IUPAC2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol
SMILESCCC1OC(n2cnc3c(NC4CCCC4)ncnc32)C(O)C1O
InChIInChI=1S/C16H23N5O3/c1-2-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-5-3-4-6-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)
InChIKeyJINVIIJODLXFHF-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.21
Rot. Bonds4

About 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol

2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol (PubChem CID 76777733) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol.

Molecular Properties

Compound Name2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol
PubChem CID76777733
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol
SMILESCCC1OC(n2cnc3c(NC4CCCC4)ncnc32)C(O)C1O
InChIInChI=1S/C16H23N5O3/c1-2-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-5-3-4-6-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)
InChIKeyJINVIIJODLXFHF-UHFFFAOYSA-N
XLogP1.21
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(sulfanylmethyl)oxolane-3,4-diol
CID 137454747
(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56995921
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(methylaminomethyl)oxolane-3,4-diol
CID 71450934
2-[6-(cyclopentylamino)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 14836036
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-cyclopentylethyl)oxolane-3,4-diol
CID 21021557
(2R,3S,4R,5R)-2-ethyl-5-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-ethyl-5-[6-[(2-methylcyclopentyl)amino]purin-9-yl]oxolane-3,4-diol;methane
CID 160708997
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen sulfite
CID 53390268
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-[[hydroperoxy(hydroxy)amino]oxymethyl]oxolane-3,4-diol
CID 88892627
(2R,3R,4S,5R)-4-amino-2-[6-(cyclopentylamino)purin-9-yl]-5-methyloxolan-3-ol
CID 175676425
(2R,3R,4S,5S)-2-[6-(cyclohexylamino)purin-9-yl]-5-(1-hydroxy-2-methylprop-1-enyl)oxolane-3,4-diol
CID 141279232
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methylperoxy-methylphosphinic acid
CID 162470644
[(1R,2R,4R,5R)-4-[6-(cyclopentylamino)purin-9-yl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10543507

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol?
The IUPAC name of 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol (CID 76777733) is 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol.
What is the SMILES notation for 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol?
The canonical SMILES for 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol is CCC1OC(n2cnc3c(NC4CCCC4)ncnc32)C(O)C1O.
What is the InChIKey of 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol?
The InChIKey is JINVIIJODLXFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-2-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-5-3-4-6-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20).
What are the key properties of 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol?
2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol has a molecular weight of 333.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol is sourced from PubChem (CID 76777733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).