4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine

C21H21FN4O — CID 83288340

IUPAC4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(Oc4ccccc4F)ncn3)CC2)cc1
InChIInChI=1S/C21H21FN4O/c1-16-6-8-17(9-7-16)25-10-12-26(13-11-25)20-14-21(24-15-23-20)27-19-5-3-2-4-18(19)22/h2-9,14-15H,10-13H2,1H3
InChIKeyBKOMCXQWJZLIAT-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.04
Rot. Bonds4

About 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine

4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 83288340) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
PubChem CID83288340
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(Oc4ccccc4F)ncn3)CC2)cc1
InChIInChI=1S/C21H21FN4O/c1-16-6-8-17(9-7-16)25-10-12-26(13-11-25)20-14-21(24-15-23-20)27-19-5-3-2-4-18(19)22/h2-9,14-15H,10-13H2,1H3
InChIKeyBKOMCXQWJZLIAT-UHFFFAOYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine (CID 83288340) is 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine is Cc1ccc(N2CCN(c3cc(Oc4ccccc4F)ncn3)CC2)cc1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is BKOMCXQWJZLIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-16-6-8-17(9-7-16)25-10-12-26(13-11-25)20-14-21(24-15-23-20)27-19-5-3-2-4-18(19)22/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 364.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 83288340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).