7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione

C15H25N5O2 — CID 82465885

IUPAC7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C(C)C)n2C(C)CN
InChIInChI=1S/C15H25N5O2/c1-6-7-19-13-11(14(21)18(5)15(19)22)20(10(4)8-16)12(17-13)9(2)3/h9-10H,6-8,16H2,1-5H3
InChIKeyWGSWWVFQYFHYTB-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.95
Rot. Bonds5

About 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione

7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione (PubChem CID 82465885) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
PubChem CID82465885
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C(C)C)n2C(C)CN
InChIInChI=1S/C15H25N5O2/c1-6-7-19-13-11(14(21)18(5)15(19)22)20(10(4)8-16)12(17-13)9(2)3/h9-10H,6-8,16H2,1-5H3
InChIKeyWGSWWVFQYFHYTB-UHFFFAOYSA-N
XLogP0.95
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-aminopropan-2-yl)-7,8-dimethyl-3-propylpurine-2,6-dione
CID 82466284
8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
CID 11723303
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
CID 82466218
7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82466022
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
1-(2-aminoethyl)-3-butan-2-yl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466394
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
1-(1-aminopropan-2-yl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466471
1-(2-aminoethyl)-7-methyl-3-(2-methylpropyl)-8-propan-2-ylpurine-2,6-dione
CID 82466417
1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
CID 82466554
1-(2-aminoethyl)-7-methyl-8-(2-methylpropyl)-3-propylpurine-2,6-dione
CID 82466304

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione?
The IUPAC name of 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione (CID 82465885) is 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione?
The canonical SMILES for 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione is CCCn1c(=O)n(C)c(=O)c2c1nc(C(C)C)n2C(C)CN.
What is the InChIKey of 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione?
The InChIKey is WGSWWVFQYFHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-6-7-19-13-11(14(21)18(5)15(19)22)20(10(4)8-16)12(17-13)9(2)3/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione?
7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione is sourced from PubChem (CID 82465885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).