2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine

C21H22N4 — CID 136521532

IUPAC2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine
SMILESc1ccc(Cc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C21H22N4/c1-3-7-18(8-4-1)17-20-22-12-11-21(23-20)25-15-13-24(14-16-25)19-9-5-2-6-10-19/h1-12H,13-17H2
InChIKeyCIBMHMYNONJSKA-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.39
Rot. Bonds4

About 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine

2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 136521532) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID136521532
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine
SMILESc1ccc(Cc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C21H22N4/c1-3-7-18(8-4-1)17-20-22-12-11-21(23-20)25-15-13-24(14-16-25)19-9-5-2-6-10-19/h1-12H,13-17H2
InChIKeyCIBMHMYNONJSKA-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibenzylpyrimidine
CID 59375877
1-(2-benzylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052513
[1-(2-benzylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
CID 133454690
1-(2-benzylpyrimidin-4-yl)-3-ethylimidazolidin-4-one
CID 133499793
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 42641419
2-benzylpyrimidine
CID 13143744
2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
CID 133443170
[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
CID 10869424
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine (CID 136521532) is 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine is c1ccc(Cc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is CIBMHMYNONJSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-7-18(8-4-1)17-20-22-12-11-21(23-20)25-15-13-24(14-16-25)19-9-5-2-6-10-19/h1-12H,13-17H2.
What are the key properties of 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine?
2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 330.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 136521532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).