2-(6-morpholin-4-yl-7H-purin-2-yl)phenol

C15H15N5O2 — CID 135955185

IUPAC2-(6-morpholin-4-yl-7H-purin-2-yl)phenol
SMILESOc1ccccc1-c1nc(N2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C15H15N5O2/c21-11-4-2-1-3-10(11)13-18-14-12(16-9-17-14)15(19-13)20-5-7-22-8-6-20/h1-4,9,21H,5-8H2,(H,16,17,18,19)
InChIKeySWYYAXGUDZLFKO-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.56
Rot. Bonds2

About 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol

2-(6-morpholin-4-yl-7H-purin-2-yl)phenol (PubChem CID 135955185) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-7H-purin-2-yl)phenol
PubChem CID135955185
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-(6-morpholin-4-yl-7H-purin-2-yl)phenol
SMILESOc1ccccc1-c1nc(N2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C15H15N5O2/c21-11-4-2-1-3-10(11)13-18-14-12(16-9-17-14)15(19-13)20-5-7-22-8-6-20/h1-4,9,21H,5-8H2,(H,16,17,18,19)
InChIKeySWYYAXGUDZLFKO-UHFFFAOYSA-N
XLogP1.56
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
The IUPAC name of 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol (CID 135955185) is 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol.
What is the SMILES notation for 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
The canonical SMILES for 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol is Oc1ccccc1-c1nc(N2CCOCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
The InChIKey is SWYYAXGUDZLFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-11-4-2-1-3-10(11)13-18-14-12(16-9-17-14)15(19-13)20-5-7-22-8-6-20/h1-4,9,21H,5-8H2,(H,16,17,18,19).
What are the key properties of 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
2-(6-morpholin-4-yl-7H-purin-2-yl)phenol has a molecular weight of 297.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-7H-purin-2-yl)phenol is sourced from PubChem (CID 135955185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).