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

C16H16N6O2 — CID 46225259

IUPAC4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C16H16N6O2/c17-13(23)10-1-3-11(4-2-10)14-20-15-12(18-9-19-15)16(21-14)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H2,17,23)(H,18,19,20,21)
InChIKeyQEHPHKANKFCIMT-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.96
Rot. Bonds3

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

4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide (PubChem CID 46225259) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide
PubChem CID46225259
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C16H16N6O2/c17-13(23)10-1-3-11(4-2-10)14-20-15-12(18-9-19-15)16(21-14)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H2,17,23)(H,18,19,20,21)
InChIKeyQEHPHKANKFCIMT-UHFFFAOYSA-N
XLogP0.96
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.96
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)benzamide?
The IUPAC name of 4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide (CID 46225259) is 4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide.
What is the SMILES notation for 4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide?
The canonical SMILES for 4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide is NC(=O)c1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide?
The InChIKey is QEHPHKANKFCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c17-13(23)10-1-3-11(4-2-10)14-20-15-12(18-9-19-15)16(21-14)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H2,17,23)(H,18,19,20,21).
What are the key properties of 4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide?
4-(6-morpholin-4-yl-7H-purin-2-yl)benzamide has a molecular weight of 324.34 g/mol, XLogP of 0.96, 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)benzamide is sourced from PubChem (CID 46225259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).