4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine

C21H21FN4O — CID 83289215

IUPAC4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C21H21FN4O/c22-18-6-8-19(9-7-18)27-21-14-20(23-16-24-21)26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2
InChIKeyAEKAFXUYRONXRB-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.73
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine

4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine (PubChem CID 83289215) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
PubChem CID83289215
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C21H21FN4O/c22-18-6-8-19(9-7-18)27-21-14-20(23-16-24-21)26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2
InChIKeyAEKAFXUYRONXRB-UHFFFAOYSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine
CID 175982870
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
CID 46133605
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 91633841
6-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109352037
4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24715764

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine (CID 83289215) is 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine is Fc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine?
The InChIKey is AEKAFXUYRONXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-6-8-19(9-7-18)27-21-14-20(23-16-24-21)26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine?
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine has a molecular weight of 364.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 83289215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).