6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one

C13H19N5O3 — CID 67314393

IUPAC6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one
SMILESCCCOc1nc(N)c2[nH]c(=O)n(CC3CCOC3)c2n1
InChIInChI=1S/C13H19N5O3/c1-2-4-21-12-16-10(14)9-11(17-12)18(13(19)15-9)6-8-3-5-20-7-8/h8H,2-7H2,1H3,(H,15,19)(H2,14,16,17)
InChIKeyXEICWQMVFKUUHS-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.53
Rot. Bonds5

About 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one

6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one (PubChem CID 67314393) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one
PubChem CID67314393
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one
SMILESCCCOc1nc(N)c2[nH]c(=O)n(CC3CCOC3)c2n1
InChIInChI=1S/C13H19N5O3/c1-2-4-21-12-16-10(14)9-11(17-12)18(13(19)15-9)6-8-3-5-20-7-8/h8H,2-7H2,1H3,(H,15,19)(H2,14,16,17)
InChIKeyXEICWQMVFKUUHS-UHFFFAOYSA-N
XLogP0.53
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one
CID 25026355
6-amino-2-butoxy-9-[3-[[(3R)-oxolan-3-yl]methylamino]propyl]-7H-purin-8-one
CID 68575201
6-amino-2-butoxy-9-(piperidin-4-ylmethyl)-7H-purin-8-one;hydrochloride
CID 67607123
6-amino-2-butoxy-9-[3-(2,2-dimethyloxan-4-yl)propyl]-7H-purin-8-one
CID 25026555
6-amino-9-[3-(oxan-4-yl)propyl]-2-[(2R)-pentan-2-yl]oxy-7H-purin-8-one
CID 25024571
6-amino-2-butoxy-9-(4-piperidin-4-ylbutyl)-7H-purin-8-one
CID 67181623
6-amino-2-butoxy-9-[2-(oxolan-2-ylmethoxy)ethyl]-7H-purin-8-one
CID 68610854
6-amino-9-[[1-[3-[benzyl(methyl)amino]propyl]piperidin-4-yl]methyl]-2-butoxy-7H-purin-8-one
CID 59288027
methyl 2-[7-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1,4-oxazepan-4-yl]acetate
CID 143428558
6-amino-2-butoxy-9-[3-(1-butylpiperidin-4-yl)propyl]-7H-purin-8-one
CID 67233137
6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one
CID 143428583
6-amino-2-butoxy-9-[4-[1-(cyclopentylmethyl)piperidin-3-yl]butyl]-7H-purin-8-one
CID 67183581

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one?
The IUPAC name of 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one (CID 67314393) is 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one?
The canonical SMILES for 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one is CCCOc1nc(N)c2[nH]c(=O)n(CC3CCOC3)c2n1.
What is the InChIKey of 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one?
The InChIKey is XEICWQMVFKUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-4-21-12-16-10(14)9-11(17-12)18(13(19)15-9)6-8-3-5-20-7-8/h8H,2-7H2,1H3,(H,15,19)(H2,14,16,17).
What are the key properties of 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one?
6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one has a molecular weight of 293.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one is sourced from PubChem (CID 67314393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).