4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine

C14H14F2N4 — CID 115416249

IUPAC4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccc(N2CCN(c3cc(F)ncn3)CC2)cc1
InChIInChI=1S/C14H14F2N4/c15-11-1-3-12(4-2-11)19-5-7-20(8-6-19)14-9-13(16)17-10-18-14/h1-4,9-10H,5-8H2
InChIKeyIFSPOPUTXSSIEI-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.08
Rot. Bonds2

About 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine

4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine (PubChem CID 115416249) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
PubChem CID115416249
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccc(N2CCN(c3cc(F)ncn3)CC2)cc1
InChIInChI=1S/C14H14F2N4/c15-11-1-3-12(4-2-11)19-5-7-20(8-6-19)14-9-13(16)17-10-18-14/h1-4,9-10H,5-8H2
InChIKeyIFSPOPUTXSSIEI-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
N-phenyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1478450
5-(2-Phenyldiazenyl)-4,6-pyrimidinediamine
CID 3016869
N2-(4-fluorophenyl)-N4-phenyl-N6-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 46913817
2-(Pyridin-2-yl)pyrimidin-4-amine
CID 12403616
Bisanilinopyrimidine, 6l
CID 70702141
2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 764708
N-phenyl-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 736391

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine (CID 115416249) is 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine is Fc1ccc(N2CCN(c3cc(F)ncn3)CC2)cc1.
What is the InChIKey of 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
The InChIKey is IFSPOPUTXSSIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4/c15-11-1-3-12(4-2-11)19-5-7-20(8-6-19)14-9-13(16)17-10-18-14/h1-4,9-10H,5-8H2.
What are the key properties of 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine has a molecular weight of 276.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 115416249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).