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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Related Compounds

(2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
CID 93225959
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methylphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine
CID 158059998
1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 46029519
1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane
CID 94075421
5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride
CID 170986684
(2S)-1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]hexan-2-ol
CID 93225984
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 42774947
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
4-chloro-2-(ethylsulfanylmethyl)-6-methyl-5-[(2-methylphenyl)methyl]pyrimidine
CID 82168974
1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]-1,4-diazepane
CID 56767279

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).