[4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol

C16H17N5O2 — CID 25069592

IUPAC[4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol
SMILESOCc1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C16H17N5O2/c22-9-11-1-3-12(4-2-11)14-19-15-13(17-10-18-15)16(20-14)21-5-7-23-8-6-21/h1-4,10,22H,5-9H2,(H,17,18,19,20)
InChIKeyGSYUMLARWMDMOF-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.35
Rot. Bonds3

About [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol

[4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol (PubChem CID 25069592) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol
PubChem CID25069592
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name[4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol
SMILESOCc1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C16H17N5O2/c22-9-11-1-3-12(4-2-11)14-19-15-13(17-10-18-15)16(20-14)21-5-7-23-8-6-21/h1-4,10,22H,5-9H2,(H,17,18,19,20)
InChIKeyGSYUMLARWMDMOF-UHFFFAOYSA-N
XLogP1.35
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol?
The IUPAC name of [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol (CID 25069592) is [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol?
The canonical SMILES for [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol is OCc1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol?
The InChIKey is GSYUMLARWMDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-9-11-1-3-12(4-2-11)14-19-15-13(17-10-18-15)16(20-14)21-5-7-23-8-6-21/h1-4,10,22H,5-9H2,(H,17,18,19,20).
What are the key properties of [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol?
[4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol has a molecular weight of 311.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-morpholin-4-yl-7H-purin-2-yl)phenyl]methanol is sourced from PubChem (CID 25069592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).