2-acetyl-2-amino-1H-purin-6-one

C7H7N5O2 — CID 22354299

IUPAC2-acetyl-2-amino-1H-purin-6-one
SMILESCC(=O)C1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C7H7N5O2/c1-3(13)7(8)11-5-4(6(14)12-7)9-2-10-5/h2H,8H2,1H3,(H,12,14)
InChIKeyKYISGNIPMYMOAH-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.80
Rot. Bonds1

About 2-acetyl-2-amino-1H-purin-6-one

2-acetyl-2-amino-1H-purin-6-one (PubChem CID 22354299) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-acetyl-2-amino-1H-purin-6-one.

Molecular Properties

Compound Name2-acetyl-2-amino-1H-purin-6-one
PubChem CID22354299
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-acetyl-2-amino-1H-purin-6-one
SMILESCC(=O)C1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C7H7N5O2/c1-3(13)7(8)11-5-4(6(14)12-7)9-2-10-5/h2H,8H2,1H3,(H,12,14)
InChIKeyKYISGNIPMYMOAH-UHFFFAOYSA-N
XLogP-1.80
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-amino-1H-purin-6-one?
The IUPAC name of 2-acetyl-2-amino-1H-purin-6-one (CID 22354299) is 2-acetyl-2-amino-1H-purin-6-one.
What is the SMILES notation for 2-acetyl-2-amino-1H-purin-6-one?
The canonical SMILES for 2-acetyl-2-amino-1H-purin-6-one is CC(=O)C1(N)N=C2N=CN=C2C(=O)N1.
What is the InChIKey of 2-acetyl-2-amino-1H-purin-6-one?
The InChIKey is KYISGNIPMYMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-3(13)7(8)11-5-4(6(14)12-7)9-2-10-5/h2H,8H2,1H3,(H,12,14).
What are the key properties of 2-acetyl-2-amino-1H-purin-6-one?
2-acetyl-2-amino-1H-purin-6-one has a molecular weight of 193.17 g/mol, XLogP of -1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-amino-1H-purin-6-one is sourced from PubChem (CID 22354299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).