benzamide;7H-purin-6-amine

C12H12N6O — CID 66705736

IUPACbenzamide;7H-purin-6-amine
SMILESNC(=O)c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7NO.C5H5N5/c8-7(9)6-4-2-1-3-5-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-5H,(H2,8,9);1-2H,(H3,6,7,8,9,10)
InChIKeyWLBKIIPHHWZKMR-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.72
Rot. Bonds1

About benzamide;7H-purin-6-amine

benzamide;7H-purin-6-amine (PubChem CID 66705736) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is benzamide;7H-purin-6-amine.

Molecular Properties

Compound Namebenzamide;7H-purin-6-amine
PubChem CID66705736
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Namebenzamide;7H-purin-6-amine
SMILESNC(=O)c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7NO.C5H5N5/c8-7(9)6-4-2-1-3-5-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-5H,(H2,8,9);1-2H,(H3,6,7,8,9,10)
InChIKeyWLBKIIPHHWZKMR-UHFFFAOYSA-N
XLogP0.72
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methanol;bis(7H-purin-6-amine);bis(pyridine-3-carboxamide)
CID 67811269
5-aminopyridine-3-carboxamide;7H-purin-6-amine
CID 22262480
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;7H-purin-6-amine;pyridine-3-carboxamide
CID 162030735
methanol;7H-purin-6-amine
CID 67194832
CID 67796265
CID 67796265
7H-purin-6-amine;hydrochloride
CID 169432832
hexane-1,2,3,4,5,6-hexol;7H-purin-6-amine;pyridine-3-carboxamide
CID 68901215
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
7H-purin-6-amine;1,3-selenazole-2-carboxamide
CID 87994034
bis(7H-purin-6-amine);sulfate
CID 23616791
N-acetylpyridine-3-carboxamide;7H-purin-6-amine
CID 66746855
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606

Frequently Asked Questions

What is the IUPAC name of benzamide;7H-purin-6-amine?
The IUPAC name of benzamide;7H-purin-6-amine (CID 66705736) is benzamide;7H-purin-6-amine.
What is the SMILES notation for benzamide;7H-purin-6-amine?
The canonical SMILES for benzamide;7H-purin-6-amine is NC(=O)c1ccccc1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of benzamide;7H-purin-6-amine?
The InChIKey is WLBKIIPHHWZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C5H5N5/c8-7(9)6-4-2-1-3-5-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-5H,(H2,8,9);1-2H,(H3,6,7,8,9,10).
What are the key properties of benzamide;7H-purin-6-amine?
benzamide;7H-purin-6-amine has a molecular weight of 256.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;7H-purin-6-amine is sourced from PubChem (CID 66705736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).