(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol

C17H20N6O3 — CID 66855798

IUPAC(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol
SMILESCNC[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C17H20N6O3/c1-19-7-10-12(24)13(25)17(26-10)23-15(9-5-3-2-4-6-9)22-11-14(18)20-8-21-16(11)23/h2-6,8,10,12-13,17,19,24-25H,7H2,1H3,(H2,18,20,21)/t10-,12?,13?,17-/m1/s1
InChIKeyITCIQRQBKUJDSH-PTYRAISJSA-N
MW356.39 g/mol
LogP-0.09
Rot. Bonds4

About (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol

(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol (PubChem CID 66855798) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol
PubChem CID66855798
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol
SMILESCNC[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C17H20N6O3/c1-19-7-10-12(24)13(25)17(26-10)23-15(9-5-3-2-4-6-9)22-11-14(18)20-8-21-16(11)23/h2-6,8,10,12-13,17,19,24-25H,7H2,1H3,(H2,18,20,21)/t10-,12?,13?,17-/m1/s1
InChIKeyITCIQRQBKUJDSH-PTYRAISJSA-N
XLogP-0.09
TPSA131.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol;sulfuric acid
CID 66856914
(2R,3R,4S,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol;sulfuric acid
CID 25233764
5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 74961463
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-(methylamino)ethylamino]methyl]oxolane-3,4-diol
CID 25233766
(2R,3S,4R,5R)-2-[[4-aminooxybutyl(methyl)amino]methyl]-5-(6-amino-8-phenylpurin-9-yl)oxolane-3,4-diol;sulfuric acid
CID 44564195
ethyl (1Z)-N-[4-[[(2R,3S,4R,5R)-5-(6-amino-8-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butoxy]ethanimidate
CID 25183018
(2R,5R)-2-(6-amino-8-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57098518
(2R,3R,4S,5R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14702123
2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 74033344
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[2-hydroxy-2-[2-(methylamino)ethylamino]ethyl]oxolane-3,4-diol
CID 25181594
(2R,3R,4S,5R)-2-[6-amino-8-(2-phenoxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 59034992
(2R,3R,4S,5R)-2-[6-amino-8-[(2-methylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 118737953

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol (CID 66855798) is (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol is CNC[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)C(O)C1O.
What is the InChIKey of (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol?
The InChIKey is ITCIQRQBKUJDSH-PTYRAISJSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-19-7-10-12(24)13(25)17(26-10)23-15(9-5-3-2-4-6-9)22-11-14(18)20-8-21-16(11)23/h2-6,8,10,12-13,17,19,24-25H,7H2,1H3,(H2,18,20,21)/t10-,12?,13?,17-/m1/s1.
What are the key properties of (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol?
(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol has a molecular weight of 356.39 g/mol, XLogP of -0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol is sourced from PubChem (CID 66855798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).