3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione

C15H12ClN3O2 — CID 2940398

IUPAC3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ncccn1
InChIInChI=1S/C15H12ClN3O2/c16-12-4-2-10(3-5-12)8-11-9-13(20)19(14(11)21)15-17-6-1-7-18-15/h1-7,11H,8-9H2
InChIKeyLDAPJOKRFFNEEL-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.25
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione

3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione (PubChem CID 2940398) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
PubChem CID2940398
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ncccn1
InChIInChI=1S/C15H12ClN3O2/c16-12-4-2-10(3-5-12)8-11-9-13(20)19(14(11)21)15-17-6-1-7-18-15/h1-7,11H,8-9H2
InChIKeyLDAPJOKRFFNEEL-UHFFFAOYSA-N
XLogP2.25
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-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-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione (CID 2940398) is 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione is O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ncccn1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The InChIKey is LDAPJOKRFFNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-4-2-10(3-5-12)8-11-9-13(20)19(14(11)21)15-17-6-1-7-18-15/h1-7,11H,8-9H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione has a molecular weight of 301.73 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2940398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).