2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one

C11H17N5O2 — CID 136601483

IUPAC2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESCCC1CCC(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C11H17N5O2/c1-2-6-3-4-7(18-6)16-5-13-8-9(16)14-11(12)15-10(8)17/h6-7,13H,2-5H2,1H3,(H3,12,14,15,17)
InChIKeyZFAZNUXOGPMMLR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.46
Rot. Bonds2

About 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one

2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one (PubChem CID 136601483) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one
PubChem CID136601483
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESCCC1CCC(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C11H17N5O2/c1-2-6-3-4-7(18-6)16-5-13-8-9(16)14-11(12)15-10(8)17/h6-7,13H,2-5H2,1H3,(H3,12,14,15,17)
InChIKeyZFAZNUXOGPMMLR-UHFFFAOYSA-N
XLogP0.46
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-propyl-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156435210
2-amino-9-[(4R)-4-fluoro-5-propyloxolan-2-yl]-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156435220
2-amino-9-(4-fluoro-5-propyloxolan-2-yl)-7-prop-2-ynyl-1H-purine-6,8-dione
CID 156435314
2-amino-9-[(4R)-4-fluoro-5-propyloxolan-2-yl]-7-propyl-1H-purine-6,8-dione
CID 156435322
2-amino-7-(cyclopropylmethyl)-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156435669
2-amino-7-prop-2-ynyl-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156435734
2-amino-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156435928
2-amino-7-butyl-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156747519
2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione
CID 156747532
2-amino-9-(4-fluoro-5-propyloxolan-2-yl)-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156747540
N-[6,8-dioxo-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-7-(3,3,3-trifluoropropyl)-1H-purin-2-yl]acetamide
CID 156747502
9-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,8-dihydropurin-8-id-6-one;uranium
CID 135966731

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one (CID 136601483) is 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one is CCC1CCC(N2CNc3c2nc(N)[nH]c3=O)O1.
What is the InChIKey of 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
The InChIKey is ZFAZNUXOGPMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-6-3-4-7(18-6)16-5-13-8-9(16)14-11(12)15-10(8)17/h6-7,13H,2-5H2,1H3,(H3,12,14,15,17).
What are the key properties of 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(5-ethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one is sourced from PubChem (CID 136601483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).