8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione

C17H18N8O2 — CID 110175626

IUPAC8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione
SMILESCn1c(=O)c2c(nc3nc(N)nc(NCCc4ccccc4)n32)n(C)c1=O
InChIInChI=1S/C17H18N8O2/c1-23-12-11(13(26)24(2)17(23)27)25-15(21-14(18)22-16(25)20-12)19-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyLRBVSHXAWFVXGU-UHFFFAOYSA-N
MW366.39 g/mol
LogP-0.09
Rot. Bonds4

About 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione

8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione (PubChem CID 110175626) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione
PubChem CID110175626
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione
SMILESCn1c(=O)c2c(nc3nc(N)nc(NCCc4ccccc4)n32)n(C)c1=O
InChIInChI=1S/C17H18N8O2/c1-23-12-11(13(26)24(2)17(23)27)25-15(21-14(18)22-16(25)20-12)19-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyLRBVSHXAWFVXGU-UHFFFAOYSA-N
XLogP-0.09
TPSA125.13 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-6,8-bis(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione
CID 110175625
8-amino-6-(2-hydroxypropylamino)-1,3-dimethylpurino[7,8-a][1,3,5]triazine-2,4-dione
CID 110175620
8-[2-(4-hydroxyphenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione
CID 2815784
8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
CID 706637
8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 53275855
7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 839657
4-[2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]ethyl]benzenesulfonamide
CID 4874759
8-[2-(4-chlorophenyl)ethylamino]-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 171363049
7-[(2,5-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylbutylamino)purine-2,6-dione
CID 71029597
1,3,7-trimethyl-8-[2-[methyl-[(2R)-1-phenylpropan-2-yl]amino]ethylamino]purine-2,6-dione
CID 76964579
2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 699817
1,3-dimethyl-7-[2-methyl-3-(2-phenylethylamino)propyl]purine-2,6-dione chloride
CID 110176328

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione (CID 110175626) is 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione is Cn1c(=O)c2c(nc3nc(N)nc(NCCc4ccccc4)n32)n(C)c1=O.
What is the InChIKey of 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione?
The InChIKey is LRBVSHXAWFVXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-23-12-11(13(26)24(2)17(23)27)25-15(21-14(18)22-16(25)20-12)19-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione?
8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione has a molecular weight of 366.39 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,3-dimethyl-6-(2-phenylethylamino)purino[7,8-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 110175626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).