4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide

C15H14N6O — CID 117094292

IUPAC4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3ncnc(NC4CC4)c3[nH]2)cc1
InChIInChI=1S/C15H14N6O/c16-12(22)8-1-3-9(4-2-8)13-20-11-14(19-10-5-6-10)17-7-18-15(11)21-13/h1-4,7,10H,5-6H2,(H2,16,22)(H2,17,18,19,20,21)
InChIKeyBRZFDTXTFHZINF-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.69
Rot. Bonds4

About 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide

4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide (PubChem CID 117094292) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide.

Molecular Properties

Compound Name4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide
PubChem CID117094292
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3ncnc(NC4CC4)c3[nH]2)cc1
InChIInChI=1S/C15H14N6O/c16-12(22)8-1-3-9(4-2-8)13-20-11-14(19-10-5-6-10)17-7-18-15(11)21-13/h1-4,7,10H,5-6H2,(H2,16,22)(H2,17,18,19,20,21)
InChIKeyBRZFDTXTFHZINF-UHFFFAOYSA-N
XLogP1.69
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide?
The IUPAC name of 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide (CID 117094292) is 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide.
What is the SMILES notation for 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide?
The canonical SMILES for 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide is NC(=O)c1ccc(-c2nc3ncnc(NC4CC4)c3[nH]2)cc1.
What is the InChIKey of 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide?
The InChIKey is BRZFDTXTFHZINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c16-12(22)8-1-3-9(4-2-8)13-20-11-14(19-10-5-6-10)17-7-18-15(11)21-13/h1-4,7,10H,5-6H2,(H2,16,22)(H2,17,18,19,20,21).
What are the key properties of 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide?
4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide has a molecular weight of 294.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylamino)-7H-purin-8-yl]benzamide is sourced from PubChem (CID 117094292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).