[5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol

C13H21N5O3 — CID 134425237

IUPAC[5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol
SMILESCCOc1nc(N)nc2c1NCN2C1OC(CO)CC1C
InChIInChI=1S/C13H21N5O3/c1-3-20-11-9-10(16-13(14)17-11)18(6-15-9)12-7(2)4-8(5-19)21-12/h7-8,12,15,19H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyHYDMIILSFKFCJB-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.39
Rot. Bonds4

About [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol

[5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol (PubChem CID 134425237) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol
PubChem CID134425237
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name[5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol
SMILESCCOc1nc(N)nc2c1NCN2C1OC(CO)CC1C
InChIInChI=1S/C13H21N5O3/c1-3-20-11-9-10(16-13(14)17-11)18(6-15-9)12-7(2)4-8(5-19)21-12/h7-8,12,15,19H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyHYDMIILSFKFCJB-UHFFFAOYSA-N
XLogP0.39
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol?
The IUPAC name of [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol (CID 134425237) is [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol is CCOc1nc(N)nc2c1NCN2C1OC(CO)CC1C.
What is the InChIKey of [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol?
The InChIKey is HYDMIILSFKFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-20-11-9-10(16-13(14)17-11)18(6-15-9)12-7(2)4-8(5-19)21-12/h7-8,12,15,19H,3-6H2,1-2H3,(H2,14,16,17).
What are the key properties of [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol?
[5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol has a molecular weight of 295.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-6-ethoxy-7,8-dihydropurin-9-yl)-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 134425237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).