3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione

C15H25N5O2 — CID 82464902

IUPAC3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione
SMILESCCNc1nc2c(c(=O)n(CC)c(=O)n2C(C)CC)n1CC
InChIInChI=1S/C15H25N5O2/c1-6-10(5)20-12-11(13(21)19(9-4)15(20)22)18(8-3)14(17-12)16-7-2/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeySQAINUPGXBDBJT-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.80
Rot. Bonds6

About 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione

3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione (PubChem CID 82464902) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione.

Molecular Properties

Compound Name3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione
PubChem CID82464902
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione
SMILESCCNc1nc2c(c(=O)n(CC)c(=O)n2C(C)CC)n1CC
InChIInChI=1S/C15H25N5O2/c1-6-10(5)20-12-11(13(21)19(9-4)15(20)22)18(8-3)14(17-12)16-7-2/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeySQAINUPGXBDBJT-UHFFFAOYSA-N
XLogP1.80
TPSA73.85 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione with MolForge

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Related Compounds

7-ethyl-8-(ethylamino)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464522
1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565
3-butan-2-yl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82464855
1,3,7-triethyl-8-(methylamino)purine-2,6-dione
CID 82464428
3-butan-2-yl-7-ethyl-1-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464889
8-(butan-2-ylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 16805287
7-(2-aminoethyl)-1,8-diethyl-3-propan-2-ylpurine-2,6-dione
CID 82466091
1-ethyl-7-methyl-8-(methylaminomethyl)-3-propan-2-ylpurine-2,6-dione
CID 82464569
1-(2-aminoethyl)-3-butan-2-yl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466394
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 27370820
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione?
The IUPAC name of 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione (CID 82464902) is 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione.
What is the SMILES notation for 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione?
The canonical SMILES for 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione is CCNc1nc2c(c(=O)n(CC)c(=O)n2C(C)CC)n1CC.
What is the InChIKey of 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione?
The InChIKey is SQAINUPGXBDBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-6-10(5)20-12-11(13(21)19(9-4)15(20)22)18(8-3)14(17-12)16-7-2/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione?
3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione is sourced from PubChem (CID 82464902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).