6-ethoxy-8-ethyl-9-propan-2-ylpurine

C12H18N4O — CID 101199592

IUPAC6-ethoxy-8-ethyl-9-propan-2-ylpurine
SMILESCCOc1ncnc2c1nc(CC)n2C(C)C
InChIInChI=1S/C12H18N4O/c1-5-9-15-10-11(16(9)8(3)4)13-7-14-12(10)17-6-2/h7-8H,5-6H2,1-4H3
InChIKeyWHIFTEUSQDBEIV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.37
Rot. Bonds4

About 6-ethoxy-8-ethyl-9-propan-2-ylpurine

6-ethoxy-8-ethyl-9-propan-2-ylpurine (PubChem CID 101199592) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-ethoxy-8-ethyl-9-propan-2-ylpurine.

Molecular Properties

Compound Name6-ethoxy-8-ethyl-9-propan-2-ylpurine
PubChem CID101199592
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-ethoxy-8-ethyl-9-propan-2-ylpurine
SMILESCCOc1ncnc2c1nc(CC)n2C(C)C
InChIInChI=1S/C12H18N4O/c1-5-9-15-10-11(16(9)8(3)4)13-7-14-12(10)17-6-2/h7-8H,5-6H2,1-4H3
InChIKeyWHIFTEUSQDBEIV-UHFFFAOYSA-N
XLogP2.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-8,9-di(propan-2-yl)purine
CID 154716536
8-phenyl-9-propan-2-yl-6-propoxypurine
CID 154718255
8-(chloromethyl)-9-(3,3-dimethylbutan-2-yl)-6-methoxypurine
CID 113457936
2-[8-(2-chloroethyl)-6-methoxypurin-9-yl]-N,N-dimethylpropan-1-amine
CID 82950227
3-benzyl-7-ethoxytriazolo[4,5-d]pyrimidine
CID 4677502
6-(4-chloro-2-methylphenyl)-8-ethyl-9-heptan-4-ylpurine
CID 54269482
6-(2,4-dichlorophenyl)-8-ethyl-9-hex-1-yn-3-ylpurine
CID 18001606
8-ethyl-9-heptan-3-yl-6-(2,4,6-trimethylphenyl)purine
CID 18001430
8-(2-chloroethyl)-6-methoxy-9-(2-propan-2-yloxyethyl)purine
CID 104763355
6-[2-chloro-4-(difluoromethoxy)phenyl]-9-(dicyclopropylmethyl)-8-ethylpurine
CID 10112764
3-chloro-4-[9-(dicyclopropylmethyl)-8-ethylpurin-6-yl]benzonitrile
CID 18001492
2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62224906

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-8-ethyl-9-propan-2-ylpurine?
The IUPAC name of 6-ethoxy-8-ethyl-9-propan-2-ylpurine (CID 101199592) is 6-ethoxy-8-ethyl-9-propan-2-ylpurine.
What is the SMILES notation for 6-ethoxy-8-ethyl-9-propan-2-ylpurine?
The canonical SMILES for 6-ethoxy-8-ethyl-9-propan-2-ylpurine is CCOc1ncnc2c1nc(CC)n2C(C)C.
What is the InChIKey of 6-ethoxy-8-ethyl-9-propan-2-ylpurine?
The InChIKey is WHIFTEUSQDBEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-5-9-15-10-11(16(9)8(3)4)13-7-14-12(10)17-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-ethoxy-8-ethyl-9-propan-2-ylpurine?
6-ethoxy-8-ethyl-9-propan-2-ylpurine has a molecular weight of 234.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-8-ethyl-9-propan-2-ylpurine is sourced from PubChem (CID 101199592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).