1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine

C17H31N5O2 — CID 70591246

IUPAC1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.CCCn1cnc2c1c(=O)n(CC)c(=O)n2C
InChIInChI=1S/C11H16N4O2.C6H15N/c1-4-6-14-7-12-9-8(14)10(16)15(5-2)11(17)13(9)3;1-5(2)7-6(3)4/h7H,4-6H2,1-3H3;5-7H,1-4H3
InChIKeyXZYWUBLLJOYRNN-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.72
Rot. Bonds5

About 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine

1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine (PubChem CID 70591246) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine
PubChem CID70591246
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.CCCn1cnc2c1c(=O)n(CC)c(=O)n2C
InChIInChI=1S/C11H16N4O2.C6H15N/c1-4-6-14-7-12-9-8(14)10(16)15(5-2)11(17)13(9)3;1-5(2)7-6(3)4/h7H,4-6H2,1-3H3;5-7H,1-4H3
InChIKeyXZYWUBLLJOYRNN-UHFFFAOYSA-N
XLogP1.72
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine with MolForge

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Related Compounds

1-[(4R)-4-hydroxypentyl]-3-methyl-7-propylpurine-2,6-dione
CID 54078055
1-ethyl-3-(4-methylphenyl)-7-propylpurine-2,6-dione
CID 46158911
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
7-(3-bromobutyl)-1,3-dimethylpurine-2,6-dione
CID 21320137
1-(2-aminobutyl)-7-ethyl-3-methylpurine-2,6-dione
CID 82466462
7-but-3-enyl-1-methyl-3-propylpurine-2,6-dione
CID 10378028
1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione
CID 67820183
3-methyl-1-[2-(3-methyloxolan-3-yl)ethyl]-7-propylpurine-2,6-dione
CID 145188785
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide
CID 27873487
1-methyl-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 13277161
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine (CID 70591246) is 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.CCCn1cnc2c1c(=O)n(CC)c(=O)n2C.
What is the InChIKey of 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine?
The InChIKey is XZYWUBLLJOYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.C6H15N/c1-4-6-14-7-12-9-8(14)10(16)15(5-2)11(17)13(9)3;1-5(2)7-6(3)4/h7H,4-6H2,1-3H3;5-7H,1-4H3.
What are the key properties of 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine?
1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine has a molecular weight of 337.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 70591246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).