7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

C14H23N5O2 — CID 82465531

IUPAC7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SMILESCCC(N)Cn1cnc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C14H23N5O2/c1-5-10(15)7-18-8-16-12-11(18)13(20)17(4)14(21)19(12)6-9(2)3/h8-10H,5-7,15H2,1-4H3
InChIKeyBLNPBTPPYAESEN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.29
Rot. Bonds5

About 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione (PubChem CID 82465531) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
PubChem CID82465531
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SMILESCCC(N)Cn1cnc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C14H23N5O2/c1-5-10(15)7-18-8-16-12-11(18)13(20)17(4)14(21)19(12)6-9(2)3/h8-10H,5-7,15H2,1-4H3
InChIKeyBLNPBTPPYAESEN-UHFFFAOYSA-N
XLogP0.29
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 13277161
1-(2-aminobutyl)-7-ethyl-3-methylpurine-2,6-dione
CID 82466462
7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 3041753
[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl benzoate
CID 23455172
7-(1-ethoxyethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 23455241
1-(3-hydroxypropyl)-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 110891810
1-methyl-3-(2-methylpropyl)-7-(2H-pyridin-1-ylmethyl)purine-2,6-dione
CID 23455225
7-(2,2-dimethoxyethyl)-1,3-dimethylpurine-2,6-dione
CID 140979198
4-ethoxy-3-[[2-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]ethylamino]methyl]benzamide
CID 69053752
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 69053348
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
The IUPAC name of 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione (CID 82465531) is 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione.
What is the SMILES notation for 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
The canonical SMILES for 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione is CCC(N)Cn1cnc2c1c(=O)n(C)c(=O)n2CC(C)C.
What is the InChIKey of 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
The InChIKey is BLNPBTPPYAESEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-10(15)7-18-8-16-12-11(18)13(20)17(4)14(21)19(12)6-9(2)3/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione?
7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminobutyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione is sourced from PubChem (CID 82465531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).