3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine

C18H21N5 — CID 122183048

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESCN1CCN(Cc2c(-c3ccccc3)nc3ncccn23)CC1
InChIInChI=1S/C18H21N5/c1-21-10-12-22(13-11-21)14-16-17(15-6-3-2-4-7-15)20-18-19-8-5-9-23(16)18/h2-9H,10-14H2,1H3
InChIKeyMCLBHPHRGGKPMG-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.14
Rot. Bonds3

About 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine

3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine (PubChem CID 122183048) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine
PubChem CID122183048
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESCN1CCN(Cc2c(-c3ccccc3)nc3ncccn23)CC1
InChIInChI=1S/C18H21N5/c1-21-10-12-22(13-11-21)14-16-17(15-6-3-2-4-7-15)20-18-19-8-5-9-23(16)18/h2-9H,10-14H2,1H3
InChIKeyMCLBHPHRGGKPMG-UHFFFAOYSA-N
XLogP2.14
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine 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-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine (CID 122183048) is 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine is CN1CCN(Cc2c(-c3ccccc3)nc3ncccn23)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is MCLBHPHRGGKPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-21-10-12-22(13-11-21)14-16-17(15-6-3-2-4-7-15)20-18-19-8-5-9-23(16)18/h2-9H,10-14H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine?
3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 307.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).