1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione

C15H25N5O2 — CID 82466304

IUPAC1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(CCN)c(=O)c2c1nc(CC(C)C)n2C
InChIInChI=1S/C15H25N5O2/c1-5-7-19-13-12(14(21)20(8-6-16)15(19)22)18(4)11(17-13)9-10(2)3/h10H,5-9,16H2,1-4H3
InChIKeyWQOSWYQPUIPKBH-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.46
Rot. Bonds6

About 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione

1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione (PubChem CID 82466304) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
PubChem CID82466304
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(CCN)c(=O)c2c1nc(CC(C)C)n2C
InChIInChI=1S/C15H25N5O2/c1-5-7-19-13-12(14(21)20(8-6-16)15(19)22)18(4)11(17-13)9-10(2)3/h10H,5-9,16H2,1-4H3
InChIKeyWQOSWYQPUIPKBH-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
CID 82466367
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
1-(2-aminoethyl)-3,7-diethyl-8-propylpurine-2,6-dione
CID 82466550
1-(2-aminoethyl)-7-methyl-3-(2-methylpropyl)-8-propan-2-ylpurine-2,6-dione
CID 82466417
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
1-(2-aminoethyl)-8-cyclopropyl-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466419
1-(2-aminoethyl)-3-butan-2-yl-8-(methoxymethyl)-7-methylpurine-2,6-dione
CID 82466395
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
1-(2-aminoethyl)-7-ethyl-3-propan-2-yl-8-propylpurine-2,6-dione
CID 82466583

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione?
The IUPAC name of 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione (CID 82466304) is 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione.
What is the SMILES notation for 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione?
The canonical SMILES for 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione is CCCn1c(=O)n(CCN)c(=O)c2c1nc(CC(C)C)n2C.
What is the InChIKey of 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione?
The InChIKey is WQOSWYQPUIPKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-7-19-13-12(14(21)20(8-6-16)15(19)22)18(4)11(17-13)9-10(2)3/h10H,5-9,16H2,1-4H3.
What are the key properties of 1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione?
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.46, 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-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione is sourced from PubChem (CID 82466304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).