8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione

C17H21N5O2 — CID 706637

IUPAC8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
SMILESCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1
InChIInChI=1S/C17H21N5O2/c1-4-18-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyRGAMYIIPBGRRCY-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.11
Rot. Bonds5

About 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione

8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione (PubChem CID 706637) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
PubChem CID706637
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
SMILESCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1
InChIInChI=1S/C17H21N5O2/c1-4-18-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyRGAMYIIPBGRRCY-UHFFFAOYSA-N
XLogP1.11
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione with MolForge

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Related Compounds

8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 53275855
2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 699817
7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 839657
8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
CID 3600648
1,3-dimethyl-7-(2-phenylethyl)-8-pyrrolidin-1-ylpurine-2,6-dione
CID 981029
7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
CID 663453
8-(benzylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 4034820
7-[(2,5-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylbutylamino)purine-2,6-dione
CID 71029597
[2-hydroxy-3-[8-(2-hydroxyethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]propyl]-(2-phenylethyl)azanium chloride
CID 110175186
1,3,7-trimethyl-8-[2-[methyl-[(2R)-1-phenylpropan-2-yl]amino]ethylamino]purine-2,6-dione
CID 76964579
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 27370820
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)purine-2,6-dione
CID 665979

Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione?
The IUPAC name of 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione (CID 706637) is 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione.
What is the SMILES notation for 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione?
The canonical SMILES for 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione is CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1.
What is the InChIKey of 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione?
The InChIKey is RGAMYIIPBGRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-18-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione?
8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione has a molecular weight of 327.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione is sourced from PubChem (CID 706637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).