8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione

C23H25Cl2N5O2 — CID 73282337

IUPAC8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione
SMILESCN(CC1=NC2C(C(=O)N(C)C(=O)N2C)N1Cc1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C23H25Cl2N5O2/c1-27(12-15-7-5-4-6-8-15)14-19-26-21-20(22(31)29(3)23(32)28(21)2)30(19)13-16-9-10-17(24)11-18(16)25/h4-11,20-21H,12-14H2,1-3H3
InChIKeyAWANKQHVGKPWGQ-UHFFFAOYSA-N
MW474.39 g/mol
LogP3.56
Rot. Bonds6

About 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione

8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione (PubChem CID 73282337) has the molecular formula C23H25Cl2N5O2 and a molecular weight of 474.39 g/mol. Its IUPAC name is 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione
PubChem CID73282337
Molecular FormulaC23H25Cl2N5O2
Molecular Weight474.39 g/mol
Exact Mass473.14
IUPAC Name8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione
SMILESCN(CC1=NC2C(C(=O)N(C)C(=O)N2C)N1Cc1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C23H25Cl2N5O2/c1-27(12-15-7-5-4-6-8-15)14-19-26-21-20(22(31)29(3)23(32)28(21)2)30(19)13-16-9-10-17(24)11-18(16)25/h4-11,20-21H,12-14H2,1-3H3
InChIKeyAWANKQHVGKPWGQ-UHFFFAOYSA-N
XLogP3.56
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 74474248
7-benzyl-8-chloro-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 78170191
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,4-dichlorophenyl)methyl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 73328120
8-[benzyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 78212689
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
7-benzyl-8-benzylsulfanyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 78212373
1-benzyl-8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 78212821
7-benzyl-1,3-dimethyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 78212382
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(2-phenylethyl)-4,5-dihydropurine-2,6-dione
CID 74688806
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-[(2-methylphenyl)methyl]-4,5-dihydropurine-2,6-dione
CID 73282185
4-[2-[benzyl(methyl)amino]acetyl]-1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 134084785

Frequently Asked Questions

What is the IUPAC name of 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione (CID 73282337) is 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione is CN(CC1=NC2C(C(=O)N(C)C(=O)N2C)N1Cc1ccc(Cl)cc1Cl)Cc1ccccc1.
What is the InChIKey of 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
The InChIKey is AWANKQHVGKPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O2/c1-27(12-15-7-5-4-6-8-15)14-19-26-21-20(22(31)29(3)23(32)28(21)2)30(19)13-16-9-10-17(24)11-18(16)25/h4-11,20-21H,12-14H2,1-3H3.
What are the key properties of 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione has a molecular weight of 474.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[benzyl(methyl)amino]methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73282337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).