8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione

C8H13N5O2 — CID 78302943

IUPAC8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C8H13N5O2/c1-3-13-4-5(10-7(13)9)12(2)8(15)11-6(4)14/h4-5H,3H2,1-2H3,(H2,9,10)(H,11,14,15)
InChIKeyOGCXNCZDJVCHMJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.49
Rot. Bonds1

About 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione

8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 78302943) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID78302943
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C8H13N5O2/c1-3-13-4-5(10-7(13)9)12(2)8(15)11-6(4)14/h4-5H,3H2,1-2H3,(H2,9,10)(H,11,14,15)
InChIKeyOGCXNCZDJVCHMJ-UHFFFAOYSA-N
XLogP-1.49
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-butyl-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 75609018
8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78205157
7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303122
8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78379500
8-ethylsulfanyl-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302970
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78303009
3-methyl-8-[[3-methyl-7-(2-methylpropyl)-2,6-dioxo-4,5-dihydropurin-8-yl]sulfanyl]-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 78372999
3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977
2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide
CID 78266829
3-methyl-7-pentyl-8-propylsulfanyl-4,5-dihydropurine-2,6-dione
CID 78302971
8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 85204308
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione (CID 78302943) is 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione is CCN1C(N)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is OGCXNCZDJVCHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3-13-4-5(10-7(13)9)12(2)8(15)11-6(4)14/h4-5H,3H2,1-2H3,(H2,9,10)(H,11,14,15).
What are the key properties of 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 211.22 g/mol, XLogP of -1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78302943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).