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

C17H17N5O3 — CID 25070227

IUPAC4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine
SMILESc1nc2nc(-c3ccc4c(c3)OCCO4)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C17H17N5O3/c1-2-12-13(25-8-7-24-12)9-11(1)15-20-16-14(18-10-19-16)17(21-15)22-3-5-23-6-4-22/h1-2,9-10H,3-8H2,(H,18,19,20,21)
InChIKeyNQIWEABOQZQMOA-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.63
Rot. Bonds2

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

4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine (PubChem CID 25070227) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine
PubChem CID25070227
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine
SMILESc1nc2nc(-c3ccc4c(c3)OCCO4)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C17H17N5O3/c1-2-12-13(25-8-7-24-12)9-11(1)15-20-16-14(18-10-19-16)17(21-15)22-3-5-23-6-4-22/h1-2,9-10H,3-8H2,(H,18,19,20,21)
InChIKeyNQIWEABOQZQMOA-UHFFFAOYSA-N
XLogP1.63
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine?
The IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine (CID 25070227) is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine?
The canonical SMILES for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine is c1nc2nc(-c3ccc4c(c3)OCCO4)nc(N3CCOCC3)c2[nH]1.
What is the InChIKey of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine?
The InChIKey is NQIWEABOQZQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-2-12-13(25-8-7-24-12)9-11(1)15-20-16-14(18-10-19-16)17(21-15)22-3-5-23-6-4-22/h1-2,9-10H,3-8H2,(H,18,19,20,21).
What are the key properties of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine?
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine has a molecular weight of 339.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-purin-6-yl]morpholine is sourced from PubChem (CID 25070227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).