2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine

C23H28N4S — CID 155514521

IUPAC2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine
SMILESCc1ccc(CN2CCN(CCc3cc(-c4cccs4)nc(C)n3)CC2)cc1
InChIInChI=1S/C23H28N4S/c1-18-5-7-20(8-6-18)17-27-13-11-26(12-14-27)10-9-21-16-22(25-19(2)24-21)23-4-3-15-28-23/h3-8,15-16H,9-14,17H2,1-2H3
InChIKeyRZMYCWKLQVKJSB-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.18
Rot. Bonds6

About 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine

2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine (PubChem CID 155514521) has the molecular formula C23H28N4S and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine
PubChem CID155514521
Molecular FormulaC23H28N4S
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC Name2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine
SMILESCc1ccc(CN2CCN(CCc3cc(-c4cccs4)nc(C)n3)CC2)cc1
InChIInChI=1S/C23H28N4S/c1-18-5-7-20(8-6-18)17-27-13-11-26(12-14-27)10-9-21-16-22(25-19(2)24-21)23-4-3-15-28-23/h3-8,15-16H,9-14,17H2,1-2H3
InChIKeyRZMYCWKLQVKJSB-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluorophenyl)methyl]-4-[2-(2-methyl-6-thiophen-2-ylpyrimidin-4-yl)ethyl]-1,4-diazepane
CID 155524336
1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
CID 1488673
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride
CID 90681589
6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
CID 155549397
7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline
CID 91038738
3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol
CID 70728187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine?
The IUPAC name of 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine (CID 155514521) is 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine is Cc1ccc(CN2CCN(CCc3cc(-c4cccs4)nc(C)n3)CC2)cc1.
What is the InChIKey of 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine?
The InChIKey is RZMYCWKLQVKJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4S/c1-18-5-7-20(8-6-18)17-27-13-11-26(12-14-27)10-9-21-16-22(25-19(2)24-21)23-4-3-15-28-23/h3-8,15-16H,9-14,17H2,1-2H3.
What are the key properties of 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine?
2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine has a molecular weight of 392.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 155514521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).