4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine

C21H21FN4 — CID 1448120

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4/c1-16-15-20(24-21(23-16)17-5-3-2-4-6-17)26-13-11-25(12-14-26)19-9-7-18(22)8-10-19/h2-10,15H,11-14H2,1H3
InChIKeyYARSPXBHQUBHGJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.92
Rot. Bonds3

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine

4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine (PubChem CID 1448120) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine
PubChem CID1448120
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4/c1-16-15-20(24-21(23-16)17-5-3-2-4-6-17)26-13-11-25(12-14-26)19-9-7-18(22)8-10-19/h2-10,15H,11-14H2,1H3
InChIKeyYARSPXBHQUBHGJ-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine (CID 1448120) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine is Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine?
The InChIKey is YARSPXBHQUBHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c1-16-15-20(24-21(23-16)17-5-3-2-4-6-17)26-13-11-25(12-14-26)19-9-7-18(22)8-10-19/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine has a molecular weight of 348.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-phenylpyrimidine is sourced from PubChem (CID 1448120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).