(2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol

C17H17N5O4 — CID 156724421

IUPAC(2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol
SMILESNc1ncnc2c1nc(OCc1ccccc1)n2[C@H]1CC(O)=C(CO)O1
InChIInChI=1S/C17H17N5O4/c18-15-14-16(20-9-19-15)22(13-6-11(24)12(7-23)26-13)17(21-14)25-8-10-4-2-1-3-5-10/h1-5,9,13,23-24H,6-8H2,(H2,18,19,20)/t13-/m1/s1
InChIKeyREJHSACDXJWUIO-CYBMUJFWSA-N
MW355.35 g/mol
LogP1.67
Rot. Bonds5

About (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol

(2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol (PubChem CID 156724421) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol.

Molecular Properties

Compound Name(2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol
PubChem CID156724421
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name(2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol
SMILESNc1ncnc2c1nc(OCc1ccccc1)n2[C@H]1CC(O)=C(CO)O1
InChIInChI=1S/C17H17N5O4/c18-15-14-16(20-9-19-15)22(13-6-11(24)12(7-23)26-13)17(21-14)25-8-10-4-2-1-3-5-10/h1-5,9,13,23-24H,6-8H2,(H2,18,19,20)/t13-/m1/s1
InChIKeyREJHSACDXJWUIO-CYBMUJFWSA-N
XLogP1.67
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 163296362
(2R,3R,4S,5R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14702123
9-[(4aS,6R,7aS)-2,2-dihydroxy-7-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-6-yl]-8-phenylmethoxypurin-6-amine
CID 58637988
(1S,2S,3S,5S)-5-(6-amino-8-bromopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 10577980
[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
CID 10433651
(2R,3S,5R)-5-(6-amino-8-methoxypurin-9-yl)-2-methyloxolan-3-ol
CID 90728426
3-[3-(phenylmethoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
CID 139295787
8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine
CID 69089530
2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol
CID 42637848
(1R,2R)-1-[(3R,4R)-9-amino-4-hydroxy-1-(2-phenylethyl)-3,4-dihydropurino[8,9-c][1,2,4]oxadiazin-3-yl]-2-methylpropane-1,3-diol
CID 142117905
9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
CID 10638769
2-[6-amino-8-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 4599830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol?
The IUPAC name of (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol (CID 156724421) is (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol.
What is the SMILES notation for (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol?
The canonical SMILES for (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol is Nc1ncnc2c1nc(OCc1ccccc1)n2[C@H]1CC(O)=C(CO)O1.
What is the InChIKey of (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol?
The InChIKey is REJHSACDXJWUIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N5O4/c18-15-14-16(20-9-19-15)22(13-6-11(24)12(7-23)26-13)17(21-14)25-8-10-4-2-1-3-5-10/h1-5,9,13,23-24H,6-8H2,(H2,18,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol?
(2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol has a molecular weight of 355.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol is sourced from PubChem (CID 156724421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).