6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one

C25H30N4O — CID 134130379

IUPAC6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c30-25-20-24(22-10-4-1-5-11-22)26-21-29(25)15-9-3-8-14-27-16-18-28(19-17-27)23-12-6-2-7-13-23/h1-2,4-7,10-13,20-21H,3,8-9,14-19H2
InChIKeyQNAOSCIBJPUSDF-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.90
Rot. Bonds8

About 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one

6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one (PubChem CID 134130379) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one
PubChem CID134130379
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c30-25-20-24(22-10-4-1-5-11-22)26-21-29(25)15-9-3-8-14-27-16-18-28(19-17-27)23-12-6-2-7-13-23/h1-2,4-7,10-13,20-21H,3,8-9,14-19H2
InChIKeyQNAOSCIBJPUSDF-UHFFFAOYSA-N
XLogP3.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one 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 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one?
The IUPAC name of 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one (CID 134130379) is 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one is O=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one?
The InChIKey is QNAOSCIBJPUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c30-25-20-24(22-10-4-1-5-11-22)26-21-29(25)15-9-3-8-14-27-16-18-28(19-17-27)23-12-6-2-7-13-23/h1-2,4-7,10-13,20-21H,3,8-9,14-19H2.
What are the key properties of 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one?
6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one has a molecular weight of 402.54 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one is sourced from PubChem (CID 134130379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).