7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione

C15H17N5O2 — CID 82464367

IUPAC7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione
SMILESCCNc1nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)n1CC
InChIInChI=1S/C15H17N5O2/c1-3-16-14-17-12-11(19(14)4-2)13(21)18-15(22)20(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,21,22)
InChIKeyDJQSWECOWXHRSN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.33
Rot. Bonds4

About 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione

7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione (PubChem CID 82464367) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione
PubChem CID82464367
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione
SMILESCCNc1nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)n1CC
InChIInChI=1S/C15H17N5O2/c1-3-16-14-17-12-11(19(14)4-2)13(21)18-15(22)20(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,21,22)
InChIKeyDJQSWECOWXHRSN-UHFFFAOYSA-N
XLogP1.33
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455
8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione
CID 5149414
8-(benzylamino)-3,7-dimethylpurine-2,6-dione
CID 677712
8-(ethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
CID 3132253
3-phenyl-8-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911391
3-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
CID 3101070
N-benzyl-2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 985871
3-phenyl-8-propyl-7-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54239507
7-ethyl-8-(2-hydroxyethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465462
3-cyclohexyl-7-ethyl-8-(methylamino)purine-2,6-dione
CID 82464295
8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464051
8-benzylsulfanyl-7-ethyl-3-methylpurine-2,6-dione
CID 678087

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione?
The IUPAC name of 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione (CID 82464367) is 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione.
What is the SMILES notation for 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione?
The canonical SMILES for 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione is CCNc1nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)n1CC.
What is the InChIKey of 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione?
The InChIKey is DJQSWECOWXHRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-16-14-17-12-11(19(14)4-2)13(21)18-15(22)20(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,21,22).
What are the key properties of 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione?
7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione has a molecular weight of 299.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(ethylamino)-3-phenylpurine-2,6-dione is sourced from PubChem (CID 82464367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).