8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione

C20H19N5O2 — CID 1097773

IUPAC8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N)n2Cc1ccccc1
InChIInChI=1S/C20H19N5O2/c1-23-17-16(24(19(21)22-17)12-14-8-4-2-5-9-14)18(26)25(20(23)27)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,21,22)
InChIKeyOUQLAJFIRCXZFD-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.58
Rot. Bonds4

About 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione

8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione (PubChem CID 1097773) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
PubChem CID1097773
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N)n2Cc1ccccc1
InChIInChI=1S/C20H19N5O2/c1-23-17-16(24(19(21)22-17)12-14-8-4-2-5-9-14)18(26)25(20(23)27)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,21,22)
InChIKeyOUQLAJFIRCXZFD-UHFFFAOYSA-N
XLogP1.58
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-amino-1,7-dibenzyl-3-methylpurine-2,6-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

8-(2-aminoethylamino)-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 5037021
1-benzyl-3,7-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 153298149
7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 839657
1,7-dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CID 1307880
7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 628923
1-benzyl-3,7-dimethyl-8-propan-2-yloxypurine-2,6-dione
CID 91901149
2-(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid
CID 82018291
1-benzyl-8-(2-bromophenoxy)-3,7-dimethylpurine-2,6-dione
CID 2816244
1,7-dibenzyl-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione
CID 7007269
8-amino-1,7-diethyl-3-methylpurine-2,6-dione
CID 82464399
2-benzyl-4,7,8-trimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 4897717
1-benzyl-3,7-dimethylpurine-2,6-dione;chloro hypochlorite;selane
CID 174537042

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione?
The IUPAC name of 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione (CID 1097773) is 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione?
The canonical SMILES for 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione is Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N)n2Cc1ccccc1.
What is the InChIKey of 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione?
The InChIKey is OUQLAJFIRCXZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-23-17-16(24(19(21)22-17)12-14-8-4-2-5-9-14)18(26)25(20(23)27)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,21,22).
What are the key properties of 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione?
8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione has a molecular weight of 361.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 1097773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).