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

C7H9N5O2 — CID 174590702

IUPAC2-amino-1-ethoxy-7H-purin-6-one
SMILESCCOn1c(N)nc2nc[nH]c2c1=O
InChIInChI=1S/C7H9N5O2/c1-2-14-12-6(13)4-5(10-3-9-4)11-7(12)8/h3H,2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyQKUBDEOBKBIHGH-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.85
Rot. Bonds2

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

2-amino-1-ethoxy-7H-purin-6-one (PubChem CID 174590702) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-1-ethoxy-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-1-ethoxy-7H-purin-6-one
PubChem CID174590702
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-1-ethoxy-7H-purin-6-one
SMILESCCOn1c(N)nc2nc[nH]c2c1=O
InChIInChI=1S/C7H9N5O2/c1-2-14-12-6(13)4-5(10-3-9-4)11-7(12)8/h3H,2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyQKUBDEOBKBIHGH-UHFFFAOYSA-N
XLogP-0.85
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-ethyl-7H-purin-6-one
CID 18378033
bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
2-amino-1-chloro-7H-purin-6-one;ethyl acetate
CID 87238739
1,2-diamino-7H-purin-6-one
CID 15628862
1-(2-amino-6-oxo-7H-purin-1-yl)propan-2-yloxymethylphosphonic acid
CID 18406123
[(2-amino-6-oxo-7H-purin-1-yl)-propoxymethyl]phosphonic acid
CID 67334151
2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
CID 118455615
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
CID 126666255
ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate
CID 137201360
2-amino-1-[(4-nitrophenyl)methyl]-7H-purin-6-one
CID 174760334
2-amino-1-(2,4-dimethylphenyl)-7H-purin-6-one
CID 123912992

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethoxy-7H-purin-6-one?
The IUPAC name of 2-amino-1-ethoxy-7H-purin-6-one (CID 174590702) is 2-amino-1-ethoxy-7H-purin-6-one.
What is the SMILES notation for 2-amino-1-ethoxy-7H-purin-6-one?
The canonical SMILES for 2-amino-1-ethoxy-7H-purin-6-one is CCOn1c(N)nc2nc[nH]c2c1=O.
What is the InChIKey of 2-amino-1-ethoxy-7H-purin-6-one?
The InChIKey is QKUBDEOBKBIHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-2-14-12-6(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-ethoxy-7H-purin-6-one?
2-amino-1-ethoxy-7H-purin-6-one has a molecular weight of 195.18 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethoxy-7H-purin-6-one is sourced from PubChem (CID 174590702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).