1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione

C15H25N5O2 — CID 82466583

IUPAC1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(CCN)c(=O)n2C(C)C)n1CC
InChIInChI=1S/C15H25N5O2/c1-5-7-11-17-13-12(18(11)6-2)14(21)19(9-8-16)15(22)20(13)10(3)4/h10H,5-9,16H2,1-4H3
InChIKeyJHRHBTNRKUZBBS-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.87
Rot. Bonds6

About 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione

1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione (PubChem CID 82466583) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
PubChem CID82466583
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
SMILESCCCc1nc2c(c(=O)n(CCN)c(=O)n2C(C)C)n1CC
InChIInChI=1S/C15H25N5O2/c1-5-7-11-17-13-12(18(11)6-2)14(21)19(9-8-16)15(22)20(13)10(3)4/h10H,5-9,16H2,1-4H3
InChIKeyJHRHBTNRKUZBBS-UHFFFAOYSA-N
XLogP0.87
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1-ethyl-7-methyl-8-(methylaminomethyl)-3-propan-2-ylpurine-2,6-dione
CID 82464569
2-(7-ethyl-1-methyl-2,6-dioxo-3-propan-2-ylpurin-8-yl)acetic acid
CID 82464524
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
7-(2-aminoethyl)-3-ethyl-8-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465860
1-(2-aminoethyl)-3-butan-2-yl-8-(methoxymethyl)-7-methylpurine-2,6-dione
CID 82466395

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione?
The IUPAC name of 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione (CID 82466583) is 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione.
What is the SMILES notation for 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione?
The canonical SMILES for 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione is CCCc1nc2c(c(=O)n(CCN)c(=O)n2C(C)C)n1CC.
What is the InChIKey of 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione?
The InChIKey is JHRHBTNRKUZBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-7-11-17-13-12(18(11)6-2)14(21)19(9-8-16)15(22)20(13)10(3)4/h10H,5-9,16H2,1-4H3.
What are the key properties of 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione?
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione is sourced from PubChem (CID 82466583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).