N-(6-aminopurin-6-yl)acetamide

C7H8N6O — CID 91031926

IUPACN-(6-aminopurin-6-yl)acetamide
SMILESCC(=O)NC1(N)N=CN=C2N=CN=C21
InChIInChI=1S/C7H8N6O/c1-4(14)13-7(8)5-6(10-2-9-5)11-3-12-7/h2-3H,8H2,1H3,(H,13,14)
InChIKeySGYODGVDHDCVBZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-1.34
Rot. Bonds1

About N-(6-aminopurin-6-yl)acetamide

N-(6-aminopurin-6-yl)acetamide (PubChem CID 91031926) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(6-aminopurin-6-yl)acetamide.

Molecular Properties

Compound NameN-(6-aminopurin-6-yl)acetamide
PubChem CID91031926
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC NameN-(6-aminopurin-6-yl)acetamide
SMILESCC(=O)NC1(N)N=CN=C2N=CN=C21
InChIInChI=1S/C7H8N6O/c1-4(14)13-7(8)5-6(10-2-9-5)11-3-12-7/h2-3H,8H2,1H3,(H,13,14)
InChIKeySGYODGVDHDCVBZ-UHFFFAOYSA-N
XLogP-1.34
TPSA104.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-ethyl-1H-purin-6-one
CID 19601393
2-amino-2-methyl-1H-purin-6-one
CID 20066516
2-Propylguanine
CID 21087610
2,n2-Dimethylguanine
CID 22734526
2-Methyl(dimethyl)guanine
CID 129793843
2-(2-amino-6-oxo-1H-purin-2-yl)acetamide
CID 19903244
N-(6-amino-8-methylpurin-6-yl)acetamide
CID 117908348
2-Amino-1,2-dimethylpurin-6-one
CID 158446721
2-amino-2-methyl-1H-purin-6-one
CID 160223229
N-(2-amino-6-methylpurin-6-yl)acetamide
CID 169423508
2-amino-2-(methylaminomethyl)-1H-purin-6-one
CID 172739730

Frequently Asked Questions

What is the IUPAC name of N-(6-aminopurin-6-yl)acetamide?
The IUPAC name of N-(6-aminopurin-6-yl)acetamide (CID 91031926) is N-(6-aminopurin-6-yl)acetamide.
What is the SMILES notation for N-(6-aminopurin-6-yl)acetamide?
The canonical SMILES for N-(6-aminopurin-6-yl)acetamide is CC(=O)NC1(N)N=CN=C2N=CN=C21.
What is the InChIKey of N-(6-aminopurin-6-yl)acetamide?
The InChIKey is SGYODGVDHDCVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-4(14)13-7(8)5-6(10-2-9-5)11-3-12-7/h2-3H,8H2,1H3,(H,13,14).
What are the key properties of N-(6-aminopurin-6-yl)acetamide?
N-(6-aminopurin-6-yl)acetamide has a molecular weight of 192.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminopurin-6-yl)acetamide is sourced from PubChem (CID 91031926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).