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

C23H25ClN4 — CID 42774952

IUPAC5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine
SMILESCCc1nc(-c2ccccc2)nc(N2CCNCC2)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4/c1-2-21-20(16-17-8-10-19(24)11-9-17)23(28-14-12-25-13-15-28)27-22(26-21)18-6-4-3-5-7-18/h3-11,25H,2,12-16H2,1H3
InChIKeyXWCASMCZODGYJS-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.36
Rot. Bonds5

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

5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine (PubChem CID 42774952) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine
PubChem CID42774952
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine
SMILESCCc1nc(-c2ccccc2)nc(N2CCNCC2)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4/c1-2-21-20(16-17-8-10-19(24)11-9-17)23(28-14-12-25-13-15-28)27-22(26-21)18-6-4-3-5-7-18/h3-11,25H,2,12-16H2,1H3
InChIKeyXWCASMCZODGYJS-UHFFFAOYSA-N
XLogP4.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 42774947
(2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 93226399
1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]-1,4-diazepane
CID 56767279
(E)-1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42665262
(2S)-1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol
CID 93226093
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine
CID 11561156
1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-piperidin-1-ylpropan-2-ol
CID 46029580
[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone
CID 4204225
4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42775146
1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 46131663
cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 83282859
1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 42802580

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine (CID 42774952) is 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine is CCc1nc(-c2ccccc2)nc(N2CCNCC2)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine?
The InChIKey is XWCASMCZODGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-2-21-20(16-17-8-10-19(24)11-9-17)23(28-14-12-25-13-15-28)27-22(26-21)18-6-4-3-5-7-18/h3-11,25H,2,12-16H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine?
5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine has a molecular weight of 392.93 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-4-ethyl-2-phenyl-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 42774952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).