3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

C24H24ClN5O2 — CID 11166828

IUPAC3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccccc3)[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H24ClN5O2/c25-18-8-4-5-9-21(18)29-13-10-28(11-14-29)12-15-30-23(31)22-20(27-24(30)32)16-19(26-22)17-6-2-1-3-7-17/h1-9,16,26H,10-15H2,(H,27,32)
InChIKeyOTEUYQOEFVBSLN-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.16
Rot. Bonds5

About 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11166828) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID11166828
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccccc3)[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H24ClN5O2/c25-18-8-4-5-9-21(18)29-13-10-28(11-14-29)12-15-30-23(31)22-20(27-24(30)32)16-19(26-22)17-6-2-1-3-7-17/h1-9,16,26H,10-15H2,(H,27,32)
InChIKeyOTEUYQOEFVBSLN-UHFFFAOYSA-N
XLogP3.16
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 11166828) is 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2cc(-c3ccccc3)[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OTEUYQOEFVBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c25-18-8-4-5-9-21(18)29-13-10-28(11-14-29)12-15-30-23(31)22-20(27-24(30)32)16-19(26-22)17-6-2-1-3-7-17/h1-9,16,26H,10-15H2,(H,27,32).
What are the key properties of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 449.94 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11166828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).