1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione

C14H23N5O2 — CID 82466611

IUPAC1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
SMILESCCCCn1c(=O)n(CCCN)c(=O)c2c1ncn2CC
InChIInChI=1S/C14H23N5O2/c1-3-5-8-18-12-11(17(4-2)10-16-12)13(20)19(14(18)21)9-6-7-15/h10H,3-9,15H2,1-2H3
InChIKeyBJFZMOFGZWVOJN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.53
Rot. Bonds7

About 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione

1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione (PubChem CID 82466611) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
PubChem CID82466611
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
SMILESCCCCn1c(=O)n(CCCN)c(=O)c2c1ncn2CC
InChIInChI=1S/C14H23N5O2/c1-3-5-8-18-12-11(17(4-2)10-16-12)13(20)19(14(18)21)9-6-7-15/h10H,3-9,15H2,1-2H3
InChIKeyBJFZMOFGZWVOJN-UHFFFAOYSA-N
XLogP0.53
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466610
1,3-dibutyl-7-(3-hydroxypropyl)purine-2,6-dione
CID 57299123
1-(4-aminobutyl)-3-ethyl-7-methylpurine-2,6-dione
CID 82466206
1-butyl-7-(2-oxopropyl)-3-propylpurine-2,6-dione
CID 20601395
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420
1-[3-[3-(2-aminoethyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604418
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione
CID 82465662
1-(2-aminobutyl)-7-ethyl-3-methylpurine-2,6-dione
CID 82466462
3-butyl-1-(4,5-dihydroxypentyl)-7-methylpurine-2,6-dione
CID 3070272
1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82466646
3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione
CID 18004844

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione?
The IUPAC name of 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione (CID 82466611) is 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione.
What is the SMILES notation for 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione?
The canonical SMILES for 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione is CCCCn1c(=O)n(CCCN)c(=O)c2c1ncn2CC.
What is the InChIKey of 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione?
The InChIKey is BJFZMOFGZWVOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-5-8-18-12-11(17(4-2)10-16-12)13(20)19(14(18)21)9-6-7-15/h10H,3-9,15H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione?
1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione is sourced from PubChem (CID 82466611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).