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

C8H9N5O2 — CID 154284101

IUPAC2-amino-2-propanoyl-1H-purin-6-one
SMILESCCC(=O)C1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C8H9N5O2/c1-2-4(14)8(9)12-6-5(7(15)13-8)10-3-11-6/h3H,2,9H2,1H3,(H,13,15)
InChIKeyYSWQNBILKRDAQU-UHFFFAOYSA-N
MW207.19 g/mol
LogP-1.41
Rot. Bonds2

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

2-amino-2-propanoyl-1H-purin-6-one (PubChem CID 154284101) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-amino-2-propanoyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-2-propanoyl-1H-purin-6-one
PubChem CID154284101
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-amino-2-propanoyl-1H-purin-6-one
SMILESCCC(=O)C1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C8H9N5O2/c1-2-4(14)8(9)12-6-5(7(15)13-8)10-3-11-6/h3H,2,9H2,1H3,(H,13,15)
InChIKeyYSWQNBILKRDAQU-UHFFFAOYSA-N
XLogP-1.41
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-propanoyl-1H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-ethyl-1H-purin-6-one
CID 19601393
2-Propylguanine
CID 21087610
2-Isobutyrylguanine
CID 22177547
2-Acetylguanine
CID 22354299
2-amino-2-(2,2,2-trifluoroacetyl)-1H-purin-6-one
CID 153679350
2-Pivaloyl-8-bromoguanine
CID 129716540
2-Pivaloylguanine
CID 129716541
2-(2-amino-6-oxo-1H-purin-2-yl)acetamide
CID 19903244
8-(2-Oxopropyl)purine-2,6-dione
CID 67939895
1-(2-acetyl-2,6-diamino-1H-purin-6-yl)ethanone
CID 69533767
2-acetyl-2-amino-8-methyl-1H-purin-6-one
CID 140013766
2-acetyl-2-amino-8-ethyl-1H-purin-6-one
CID 140013767

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-propanoyl-1H-purin-6-one?
The IUPAC name of 2-amino-2-propanoyl-1H-purin-6-one (CID 154284101) is 2-amino-2-propanoyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-2-propanoyl-1H-purin-6-one?
The canonical SMILES for 2-amino-2-propanoyl-1H-purin-6-one is CCC(=O)C1(N)N=C2N=CN=C2C(=O)N1.
What is the InChIKey of 2-amino-2-propanoyl-1H-purin-6-one?
The InChIKey is YSWQNBILKRDAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-4(14)8(9)12-6-5(7(15)13-8)10-3-11-6/h3H,2,9H2,1H3,(H,13,15).
What are the key properties of 2-amino-2-propanoyl-1H-purin-6-one?
2-amino-2-propanoyl-1H-purin-6-one has a molecular weight of 207.19 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-propanoyl-1H-purin-6-one is sourced from PubChem (CID 154284101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).