1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione

C15H25N5O2 — CID 82466246

IUPAC1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione
SMILESCCC(N)Cn1c(=O)c2c(nc(C(C)C)n2C)n(CC)c1=O
InChIInChI=1S/C15H25N5O2/c1-6-10(16)8-20-14(21)11-13(19(7-2)15(20)22)17-12(9(3)4)18(11)5/h9-10H,6-8,16H2,1-5H3
InChIKeyIVSZKTADLOLCCX-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.78
Rot. Bonds5

About 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione

1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione (PubChem CID 82466246) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione
PubChem CID82466246
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione
SMILESCCC(N)Cn1c(=O)c2c(nc(C(C)C)n2C)n(CC)c1=O
InChIInChI=1S/C15H25N5O2/c1-6-10(16)8-20-14(21)11-13(19(7-2)15(20)22)17-12(9(3)4)18(11)5/h9-10H,6-8,16H2,1-5H3
InChIKeyIVSZKTADLOLCCX-UHFFFAOYSA-N
XLogP0.78
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-7-methyl-3-(2-methylpropyl)-8-propan-2-ylpurine-2,6-dione
CID 82466417
1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
CID 82466554
1-(2-aminobutyl)-8-ethyl-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82466335
1-(2-aminoethyl)-3-butan-2-yl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466394
1-(2-aminobutyl)-7-ethyl-3-methylpurine-2,6-dione
CID 82466462
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
CID 82465885
8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione
CID 129249371
2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)butyl acetate
CID 15673473
1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
CID 82466218
8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
CID 11723303

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione?
The IUPAC name of 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione (CID 82466246) is 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione is CCC(N)Cn1c(=O)c2c(nc(C(C)C)n2C)n(CC)c1=O.
What is the InChIKey of 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione?
The InChIKey is IVSZKTADLOLCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-6-10(16)8-20-14(21)11-13(19(7-2)15(20)22)17-12(9(3)4)18(11)5/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione?
1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-3-ethyl-7-methyl-8-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82466246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).