2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one

C11H17N5O2 — CID 137199083

IUPAC2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESCC1CC(C)C(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C11H17N5O2/c1-5-3-6(2)18-10(5)16-4-13-7-8(16)14-11(12)15-9(7)17/h5-6,10,13H,3-4H2,1-2H3,(H3,12,14,15,17)
InChIKeyYCKHTLBZFLDLCG-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.31
Rot. Bonds1

About 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one

2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one (PubChem CID 137199083) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one
PubChem CID137199083
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESCC1CC(C)C(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C11H17N5O2/c1-5-3-6(2)18-10(5)16-4-13-7-8(16)14-11(12)15-9(7)17/h5-6,10,13H,3-4H2,1-2H3,(H3,12,14,15,17)
InChIKeyYCKHTLBZFLDLCG-UHFFFAOYSA-N
XLogP0.31
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one (CID 137199083) is 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one is CC1CC(C)C(N2CNc3c2nc(N)[nH]c3=O)O1.
What is the InChIKey of 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
The InChIKey is YCKHTLBZFLDLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-3-6(2)18-10(5)16-4-13-7-8(16)14-11(12)15-9(7)17/h5-6,10,13H,3-4H2,1-2H3,(H3,12,14,15,17).
What are the key properties of 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one?
2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(3,5-dimethyloxolan-2-yl)-7,8-dihydro-1H-purin-6-one is sourced from PubChem (CID 137199083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).