5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

C12H17N5O3 — CID 23149721

IUPAC5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCCNc1ncnc2c1ncn2C1CC(O)C(CO)O1
InChIInChI=1S/C12H17N5O3/c1-2-13-11-10-12(15-5-14-11)17(6-16-10)9-3-7(19)8(4-18)20-9/h5-9,18-19H,2-4H2,1H3,(H,13,14,15)
InChIKeyAKVOWIRRIYQYQX-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.10
Rot. Bonds4

About 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 23149721) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID23149721
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCCNc1ncnc2c1ncn2C1CC(O)C(CO)O1
InChIInChI=1S/C12H17N5O3/c1-2-13-11-10-12(15-5-14-11)17(6-16-10)9-3-7(19)8(4-18)20-9/h5-9,18-19H,2-4H2,1H3,(H,13,14,15)
InChIKeyAKVOWIRRIYQYQX-UHFFFAOYSA-N
XLogP-0.10
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamic acid
CID 146237407
[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]urea
CID 121217181
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(4-methoxyanilino)purin-9-yl]oxolan-3-ol
CID 11164166
2,2,2-trifluoro-N-[2-[[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethyl]acetamide
CID 14859821
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
1-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-3-(4-methylphenyl)urea
CID 78070678
1-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-3-phenylurea
CID 78064206

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 23149721) is 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol is CCNc1ncnc2c1ncn2C1CC(O)C(CO)O1.
What is the InChIKey of 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is AKVOWIRRIYQYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-2-13-11-10-12(15-5-14-11)17(6-16-10)9-3-7(19)8(4-18)20-9/h5-9,18-19H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 279.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 23149721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).