4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine

C16H15N5O3 — CID 46225307

IUPAC4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine
SMILESc1nc2nc(-c3ccc4c(c3)OCO4)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C16H15N5O3/c1-2-11-12(24-9-23-11)7-10(1)14-19-15-13(17-8-18-15)16(20-14)21-3-5-22-6-4-21/h1-2,7-8H,3-6,9H2,(H,17,18,19,20)
InChIKeyHWVQDXXMHUAOHV-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.59
Rot. Bonds2

About 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine

4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine (PubChem CID 46225307) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine
PubChem CID46225307
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine
SMILESc1nc2nc(-c3ccc4c(c3)OCO4)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C16H15N5O3/c1-2-11-12(24-9-23-11)7-10(1)14-19-15-13(17-8-18-15)16(20-14)21-3-5-22-6-4-21/h1-2,7-8H,3-6,9H2,(H,17,18,19,20)
InChIKeyHWVQDXXMHUAOHV-UHFFFAOYSA-N
XLogP1.59
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine 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 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine?
The IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine (CID 46225307) is 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine?
The canonical SMILES for 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine is c1nc2nc(-c3ccc4c(c3)OCO4)nc(N3CCOCC3)c2[nH]1.
What is the InChIKey of 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine?
The InChIKey is HWVQDXXMHUAOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-2-11-12(24-9-23-11)7-10(1)14-19-15-13(17-8-18-15)16(20-14)21-3-5-22-6-4-21/h1-2,7-8H,3-6,9H2,(H,17,18,19,20).
What are the key properties of 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine?
4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine has a molecular weight of 325.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzodioxol-5-yl)-7H-purin-6-yl]morpholine is sourced from PubChem (CID 46225307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).