4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine

C22H25N5 — CID 11667627

IUPAC4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(C)CC3)n2)cc1C
InChIInChI=1S/C22H25N5/c1-16-4-5-19(14-17(16)2)21-15-20(18-6-8-23-9-7-18)24-22(25-21)27-12-10-26(3)11-13-27/h4-9,14-15H,10-13H2,1-3H3
InChIKeyVBTVTNSJDCYICW-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.57
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine

4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine (PubChem CID 11667627) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine
PubChem CID11667627
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(C)CC3)n2)cc1C
InChIInChI=1S/C22H25N5/c1-16-4-5-19(14-17(16)2)21-15-20(18-6-8-23-9-7-18)24-22(25-21)27-12-10-26(3)11-13-27/h4-9,14-15H,10-13H2,1-3H3
InChIKeyVBTVTNSJDCYICW-UHFFFAOYSA-N
XLogP3.57
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine 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 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine (CID 11667627) is 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine is Cc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(C)CC3)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine?
The InChIKey is VBTVTNSJDCYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-16-4-5-19(14-17(16)2)21-15-20(18-6-8-23-9-7-18)24-22(25-21)27-12-10-26(3)11-13-27/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine?
4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine has a molecular weight of 359.48 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine is sourced from PubChem (CID 11667627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).