8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione

C19H24N6O3 — CID 1089305

IUPAC8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCOc1ccc(N2CCN(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)cc1
InChIInChI=1S/C19H24N6O3/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)12-24-8-10-25(11-9-24)13-4-6-14(28-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKeyWILVAFPPCXBQGR-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.29
Rot. Bonds4

About 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione

8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 1089305) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID1089305
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCOc1ccc(N2CCN(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)cc1
InChIInChI=1S/C19H24N6O3/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)12-24-8-10-25(11-9-24)13-4-6-14(28-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKeyWILVAFPPCXBQGR-UHFFFAOYSA-N
XLogP0.29
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-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-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 10085373
9-(3-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3936354
8-(Butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 663866
1,3-dimethyl-8-[4-(2-piperidin-4-ylethoxy)phenyl]-7H-purine-2,6-dione
CID 76318040
7-[5-[4-(2-Methoxyphenyl)piperazin-1-yl]pentyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 118724640
7-hydroxy-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CID 3117115
8-(3-Dimethylamino-phenoxy)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
CID 5300278
7-(2-Methoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
CID 663594
8-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 664288
7-(2-Ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
CID 664997
7-benzyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 665006
8-[(4-Methoxyphenyl)amino]-3-methyl-1,3,7-trihydropurine-2,6-dione
CID 677347

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione (CID 1089305) is 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione is COc1ccc(N2CCN(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)cc1.
What is the InChIKey of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is WILVAFPPCXBQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)12-24-8-10-25(11-9-24)13-4-6-14(28-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,21).
What are the key properties of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 384.44 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 1089305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).