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

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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).