ethane;6-(ethylamino)-9-methyl-7H-purin-8-one

C10H17N5O — CID 169242826

IUPACethane;6-(ethylamino)-9-methyl-7H-purin-8-one
SMILESCC.CCNc1ncnc2c1[nH]c(=O)n2C
InChIInChI=1S/C8H11N5O.C2H6/c1-3-9-6-5-7(11-4-10-6)13(2)8(14)12-5;1-2/h4H,3H2,1-2H3,(H,12,14)(H,9,10,11);1-2H3
InChIKeyOWDCENYTJYNJPA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.11
Rot. Bonds2

About ethane;6-(ethylamino)-9-methyl-7H-purin-8-one

ethane;6-(ethylamino)-9-methyl-7H-purin-8-one (PubChem CID 169242826) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is ethane;6-(ethylamino)-9-methyl-7H-purin-8-one.

Molecular Properties

Compound Nameethane;6-(ethylamino)-9-methyl-7H-purin-8-one
PubChem CID169242826
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Nameethane;6-(ethylamino)-9-methyl-7H-purin-8-one
SMILESCC.CCNc1ncnc2c1[nH]c(=O)n2C
InChIInChI=1S/C8H11N5O.C2H6/c1-3-9-6-5-7(11-4-10-6)13(2)8(14)12-5;1-2/h4H,3H2,1-2H3,(H,12,14)(H,9,10,11);1-2H3
InChIKeyOWDCENYTJYNJPA-UHFFFAOYSA-N
XLogP1.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(ethylamino)-9-methyl-7H-purin-8-one?
The IUPAC name of ethane;6-(ethylamino)-9-methyl-7H-purin-8-one (CID 169242826) is ethane;6-(ethylamino)-9-methyl-7H-purin-8-one.
What is the SMILES notation for ethane;6-(ethylamino)-9-methyl-7H-purin-8-one?
The canonical SMILES for ethane;6-(ethylamino)-9-methyl-7H-purin-8-one is CC.CCNc1ncnc2c1[nH]c(=O)n2C.
What is the InChIKey of ethane;6-(ethylamino)-9-methyl-7H-purin-8-one?
The InChIKey is OWDCENYTJYNJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O.C2H6/c1-3-9-6-5-7(11-4-10-6)13(2)8(14)12-5;1-2/h4H,3H2,1-2H3,(H,12,14)(H,9,10,11);1-2H3.
What are the key properties of ethane;6-(ethylamino)-9-methyl-7H-purin-8-one?
ethane;6-(ethylamino)-9-methyl-7H-purin-8-one has a molecular weight of 223.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(ethylamino)-9-methyl-7H-purin-8-one is sourced from PubChem (CID 169242826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).