2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide

C19H23Cl2N7O3 — CID 74729390

IUPAC2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
SMILESCN1C(=O)NC(=O)C2C1N=C(N1CCN(CC(N)=O)CC1)N2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N7O3/c1-25-16-15(17(30)24-19(25)31)28(9-11-2-3-12(20)8-13(11)21)18(23-16)27-6-4-26(5-7-27)10-14(22)29/h2-3,8,15-16H,4-7,9-10H2,1H3,(H2,22,29)(H,24,30,31)
InChIKeyRKSGAROJJCGITF-UHFFFAOYSA-N
MW468.35 g/mol
LogP0.14
Rot. Bonds4

About 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide

2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide (PubChem CID 74729390) has the molecular formula C19H23Cl2N7O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
PubChem CID74729390
Molecular FormulaC19H23Cl2N7O3
Molecular Weight468.35 g/mol
Exact Mass467.12
IUPAC Name2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
SMILESCN1C(=O)NC(=O)C2C1N=C(N1CCN(CC(N)=O)CC1)N2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N7O3/c1-25-16-15(17(30)24-19(25)31)28(9-11-2-3-12(20)8-13(11)21)18(23-16)27-6-4-26(5-7-27)10-14(22)29/h2-3,8,15-16H,4-7,9-10H2,1H3,(H2,22,29)(H,24,30,31)
InChIKeyRKSGAROJJCGITF-UHFFFAOYSA-N
XLogP0.14
TPSA114.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide 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-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74717489
2-[4-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
CID 74691469
2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
CID 73282258
methyl 2-[4-[3-methyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetate
CID 167998575
2-[8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
CID 74686225
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,4-dichlorophenyl)methyl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 73328120
7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 78214752
8-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
CID 74751234
7-[(2-chlorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 78227891
7-benzyl-3-methyl-8-(4-propylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 74688180
3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-7-(2-methylprop-2-enyl)-4,5-dihydropurine-2,6-dione
CID 74688159
8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 73329035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide (CID 74729390) is 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide is CN1C(=O)NC(=O)C2C1N=C(N1CCN(CC(N)=O)CC1)N2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
The InChIKey is RKSGAROJJCGITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N7O3/c1-25-16-15(17(30)24-19(25)31)28(9-11-2-3-12(20)8-13(11)21)18(23-16)27-6-4-26(5-7-27)10-14(22)29/h2-3,8,15-16H,4-7,9-10H2,1H3,(H2,22,29)(H,24,30,31).
What are the key properties of 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide has a molecular weight of 468.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 74729390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).