9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine

C12H16N4O3 — CID 4550328

IUPAC9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine
SMILESCOc1ncnc2c1ncn2CC1COC(C)(C)O1
InChIInChI=1S/C12H16N4O3/c1-12(2)18-5-8(19-12)4-16-7-15-9-10(16)13-6-14-11(9)17-3/h6-8H,4-5H2,1-3H3
InChIKeyBMDVIRBHTZKXAA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.99
Rot. Bonds3

About 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine

9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine (PubChem CID 4550328) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine.

Molecular Properties

Compound Name9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine
PubChem CID4550328
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine
SMILESCOc1ncnc2c1ncn2CC1COC(C)(C)O1
InChIInChI=1S/C12H16N4O3/c1-12(2)18-5-8(19-12)4-16-7-15-9-10(16)13-6-14-11(9)17-3/h6-8H,4-5H2,1-3H3
InChIKeyBMDVIRBHTZKXAA-UHFFFAOYSA-N
XLogP0.99
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine?
The IUPAC name of 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine (CID 4550328) is 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine.
What is the SMILES notation for 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine?
The canonical SMILES for 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine is COc1ncnc2c1ncn2CC1COC(C)(C)O1.
What is the InChIKey of 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine?
The InChIKey is BMDVIRBHTZKXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2)18-5-8(19-12)4-16-7-15-9-10(16)13-6-14-11(9)17-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine?
9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine has a molecular weight of 264.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxypurine is sourced from PubChem (CID 4550328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).