2-amino-9-ethyl-1H-purin-6-one

C7H9N5O — CID 135415584

IUPAC2-amino-9-ethyl-1H-purin-6-one
SMILESCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H9N5O/c1-2-12-3-9-4-5(12)10-7(8)11-6(4)13/h3H,2H2,1H3,(H3,8,10,11,13)
InChIKeyWDOYBEPLTCFIRQ-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.28
Rot. Bonds1

About 2-amino-9-ethyl-1H-purin-6-one

2-amino-9-ethyl-1H-purin-6-one (PubChem CID 135415584) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-9-ethyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-ethyl-1H-purin-6-one
PubChem CID135415584
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-9-ethyl-1H-purin-6-one
SMILESCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H9N5O/c1-2-12-3-9-4-5(12)10-7(8)11-6(4)13/h3H,2H2,1H3,(H3,8,10,11,13)
InChIKeyWDOYBEPLTCFIRQ-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

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Related Compounds

2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one
CID 173024562
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910
2-amino-9-[2-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethoxy]ethoxymethyl]-1H-purin-6-one
CID 138393908
2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one
CID 174463450
9-ethyl-2-thionitroso-1H-purin-6-one
CID 137201377
2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415593
2-amino-9-[(2R,3R)-3,4-dihydroxy-2-methylbutyl]-1H-purin-6-one
CID 136756749
2-amino-9-(2,4,4-trimethylpentyl)-1H-purin-6-one
CID 174181747
2-amino-9-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxymethyl]-1H-purin-6-one
CID 135480731

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-ethyl-1H-purin-6-one?
The IUPAC name of 2-amino-9-ethyl-1H-purin-6-one (CID 135415584) is 2-amino-9-ethyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-ethyl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-ethyl-1H-purin-6-one is CCn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-ethyl-1H-purin-6-one?
The InChIKey is WDOYBEPLTCFIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-12-3-9-4-5(12)10-7(8)11-6(4)13/h3H,2H2,1H3,(H3,8,10,11,13).
What are the key properties of 2-amino-9-ethyl-1H-purin-6-one?
2-amino-9-ethyl-1H-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-9-ethyl-1H-purin-6-one is sourced from PubChem (CID 135415584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).