2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine

C19H26N4 — CID 82169410

IUPAC2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine
SMILESCCc1nc(C)c(Cc2ccccc2C)c(N2CCNCC2)n1
InChIInChI=1S/C19H26N4/c1-4-18-21-15(3)17(13-16-8-6-5-7-14(16)2)19(22-18)23-11-9-20-10-12-23/h5-8,20H,4,9-13H2,1-3H3
InChIKeyCSJQTNJHXDLLPI-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.66
Rot. Bonds4

About 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine

2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine (PubChem CID 82169410) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine
PubChem CID82169410
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine
SMILESCCc1nc(C)c(Cc2ccccc2C)c(N2CCNCC2)n1
InChIInChI=1S/C19H26N4/c1-4-18-21-15(3)17(13-16-8-6-5-7-14(16)2)19(22-18)23-11-9-20-10-12-23/h5-8,20H,4,9-13H2,1-3H3
InChIKeyCSJQTNJHXDLLPI-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine?
The IUPAC name of 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine (CID 82169410) is 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine is CCc1nc(C)c(Cc2ccccc2C)c(N2CCNCC2)n1.
What is the InChIKey of 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine?
The InChIKey is CSJQTNJHXDLLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-18-21-15(3)17(13-16-8-6-5-7-14(16)2)19(22-18)23-11-9-20-10-12-23/h5-8,20H,4,9-13H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine?
2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine has a molecular weight of 310.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 82169410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).