1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione

C14H23N5O2 — CID 82466367

IUPAC1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
SMILESCCCCn1c(=O)n(CCN)c(=O)c2c1nc(CC)n2C
InChIInChI=1S/C14H23N5O2/c1-4-6-8-18-12-11(17(3)10(5-2)16-12)13(20)19(9-7-15)14(18)21/h4-9,15H2,1-3H3
InChIKeyKVZDKTHVFAOIQP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.22
Rot. Bonds6

About 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione

1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione (PubChem CID 82466367) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
PubChem CID82466367
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
SMILESCCCCn1c(=O)n(CCN)c(=O)c2c1nc(CC)n2C
InChIInChI=1S/C14H23N5O2/c1-4-6-8-18-12-11(17(3)10(5-2)16-12)13(20)19(9-7-15)14(18)21/h4-9,15H2,1-3H3
InChIKeyKVZDKTHVFAOIQP-UHFFFAOYSA-N
XLogP0.22
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
1-(2-aminoethyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466610
3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione
CID 82464779
8-(3-aminopropyl)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463916
3-butyl-1-ethyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione
CID 110882468
1-(3-aminopropyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466611

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione?
The IUPAC name of 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione (CID 82466367) is 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione?
The canonical SMILES for 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione is CCCCn1c(=O)n(CCN)c(=O)c2c1nc(CC)n2C.
What is the InChIKey of 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione?
The InChIKey is KVZDKTHVFAOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-6-8-18-12-11(17(3)10(5-2)16-12)13(20)19(9-7-15)14(18)21/h4-9,15H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione?
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 82466367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).