1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione

C12H19N5O2 — CID 82466218

IUPAC1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
SMILESCCn1c(=O)n(C(C)CN)c(=O)c2c1nc(C)n2C
InChIInChI=1S/C12H19N5O2/c1-5-16-10-9(15(4)8(3)14-10)11(18)17(12(16)19)7(2)6-13/h7H,5-6,13H2,1-4H3
InChIKeyRQRHNGBZNJTMQL-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.26
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione

1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione (PubChem CID 82466218) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
PubChem CID82466218
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione
SMILESCCn1c(=O)n(C(C)CN)c(=O)c2c1nc(C)n2C
InChIInChI=1S/C12H19N5O2/c1-5-16-10-9(15(4)8(3)14-10)11(18)17(12(16)19)7(2)6-13/h7H,5-6,13H2,1-4H3
InChIKeyRQRHNGBZNJTMQL-UHFFFAOYSA-N
XLogP-0.26
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.26
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
1-(1-aminopropan-2-yl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466471
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
7-(1-aminopropan-2-yl)-1-ethyl-3-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82466022
7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
CID 82465885
1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466407
1-(1-aminopropan-2-yl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82466646
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
7-(2-aminoethyl)-3-ethyl-1-methyl-8-(2-methylpropyl)purine-2,6-dione
CID 82465846
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
CID 20562628
1-(2-aminoethyl)-3-butan-2-yl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466394

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione (CID 82466218) is 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione is CCn1c(=O)n(C(C)CN)c(=O)c2c1nc(C)n2C.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione?
The InChIKey is RQRHNGBZNJTMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-5-16-10-9(15(4)8(3)14-10)11(18)17(12(16)19)7(2)6-13/h7H,5-6,13H2,1-4H3.
What are the key properties of 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione?
1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-ethyl-7,8-dimethylpurine-2,6-dione is sourced from PubChem (CID 82466218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).