2-amino-1-ethyl-7H-purin-6-one

C7H9N5O — CID 18378033

IUPAC2-amino-1-ethyl-7H-purin-6-one
SMILESCCn1c(N)nc2nc[nH]c2c1=O
InChIInChI=1S/C7H9N5O/c1-2-12-6(13)4-5(10-3-9-4)11-7(12)8/h3H,2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyXDCFSKWZZSNAAE-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.28
Rot. Bonds1

About 2-amino-1-ethyl-7H-purin-6-one

2-amino-1-ethyl-7H-purin-6-one (PubChem CID 18378033) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-1-ethyl-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-1-ethyl-7H-purin-6-one
PubChem CID18378033
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-1-ethyl-7H-purin-6-one
SMILESCCn1c(N)nc2nc[nH]c2c1=O
InChIInChI=1S/C7H9N5O/c1-2-12-6(13)4-5(10-3-9-4)11-7(12)8/h3H,2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyXDCFSKWZZSNAAE-UHFFFAOYSA-N
XLogP-0.28
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-ethyl-7H-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-1-ethoxy-7H-purin-6-one
CID 174590702
2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
CID 118455615
1,2-diamino-7H-purin-6-one
CID 15628862
2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
CID 126666255
2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
CID 70210832
2-amino-1-[4-hydroxy-2-(hydroxymethyl)butyl]-7H-purin-6-one
CID 66740137
bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
1-(2-amino-6-oxo-7H-purin-1-yl)propan-2-yloxymethylphosphonic acid
CID 18406123
2-amino-1-[(4-nitrophenyl)methyl]-7H-purin-6-one
CID 174760334
2-amino-1-chloro-7H-purin-6-one;ethyl acetate
CID 87238739
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
1-(2-amino-6-oxo-7H-purin-1-yl)but-3-en-2-yloxymethylphosphonic acid
CID 67726146

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-7H-purin-6-one?
The IUPAC name of 2-amino-1-ethyl-7H-purin-6-one (CID 18378033) is 2-amino-1-ethyl-7H-purin-6-one.
What is the SMILES notation for 2-amino-1-ethyl-7H-purin-6-one?
The canonical SMILES for 2-amino-1-ethyl-7H-purin-6-one is CCn1c(N)nc2nc[nH]c2c1=O.
What is the InChIKey of 2-amino-1-ethyl-7H-purin-6-one?
The InChIKey is XDCFSKWZZSNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-12-6(13)4-5(10-3-9-4)11-7(12)8/h3H,2H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 2-amino-1-ethyl-7H-purin-6-one?
2-amino-1-ethyl-7H-purin-6-one has a molecular weight of 179.18 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7H-purin-6-one is sourced from PubChem (CID 18378033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).