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

C20H19FN4 — CID 35271779

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
SMILESFc1ccccc1N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C20H19FN4/c21-17-8-4-5-9-19(17)24-10-12-25(13-11-24)20-14-18(22-15-23-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyXJSCUOGFBLFLJI-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.61
Rot. Bonds3

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

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine (PubChem CID 35271779) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
PubChem CID35271779
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
SMILESFc1ccccc1N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C20H19FN4/c21-17-8-4-5-9-19(17)24-10-12-25(13-11-24)20-14-18(22-15-23-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyXJSCUOGFBLFLJI-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108736723
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine (CID 35271779) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine is Fc1ccccc1N1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine?
The InChIKey is XJSCUOGFBLFLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-17-8-4-5-9-19(17)24-10-12-25(13-11-24)20-14-18(22-15-23-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine has a molecular weight of 334.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 35271779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).