3-Ethyl-7-propylxanthine

HCID 9815902
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Basic information

Standard SMILES
CCCn1cnc2c1c(=O)[nH]c(=O)n2CC
InChIKey
GDCZHIPNTVBMPT-UHFFFAOYSA-N
Molecular formula
C10H14N4O2
Average molar mass
222.24 g/mol

Names & identifiers

Preferred name
3-Ethyl-7-propylxanthine
IUPAC
3-ethyl-7-propylpurine-2,6-dione

Names & synonyms

3-ethyl-7-propylxanthine3-ethyl-7-propyl-xanthineSCHEMBL7464482GDCZHIPNTVBMPT-UHFFFAOYSA-N

Database identifiers

PubChem CID
9815902

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Related reactions

4 records
New reaction record

Compound notes

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