7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione

C15H24N4O5 — CID 67749859

IUPAC7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione
SMILESCC(C)OCC(COC(C)C)OCn1cnc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C15H24N4O5/c1-9(2)22-5-11(6-23-10(3)4)24-8-19-7-16-13-12(19)14(20)18-15(21)17-13/h7,9-11H,5-6,8H2,1-4H3,(H2,17,18,20,21)
InChIKeyXRTMXJQGZAZSJB-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.61
Rot. Bonds9

About 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione

7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione (PubChem CID 67749859) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione.

Molecular Properties

Compound Name7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione
PubChem CID67749859
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione
SMILESCC(C)OCC(COC(C)C)OCn1cnc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C15H24N4O5/c1-9(2)22-5-11(6-23-10(3)4)24-8-19-7-16-13-12(19)14(20)18-15(21)17-13/h7,9-11H,5-6,8H2,1-4H3,(H2,17,18,20,21)
InChIKeyXRTMXJQGZAZSJB-UHFFFAOYSA-N
XLogP0.61
TPSA111.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione 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 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione?
The IUPAC name of 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione (CID 67749859) is 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione.
What is the SMILES notation for 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione?
The canonical SMILES for 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione is CC(C)OCC(COC(C)C)OCn1cnc2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione?
The InChIKey is XRTMXJQGZAZSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-9(2)22-5-11(6-23-10(3)4)24-8-19-7-16-13-12(19)14(20)18-15(21)17-13/h7,9-11H,5-6,8H2,1-4H3,(H2,17,18,20,21).
What are the key properties of 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione?
7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione has a molecular weight of 340.38 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3H-purine-2,6-dione is sourced from PubChem (CID 67749859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).