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

C16H19FN4 — CID 3165129

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4/c1-12-11-13(2)19-16(18-12)21-9-7-20(8-10-21)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyHPFIXLNJGOUXCB-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.56
Rot. Bonds2

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 3165129) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
PubChem CID3165129
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4/c1-12-11-13(2)19-16(18-12)21-9-7-20(8-10-21)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyHPFIXLNJGOUXCB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine (CID 3165129) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is HPFIXLNJGOUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-12-11-13(2)19-16(18-12)21-9-7-20(8-10-21)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 286.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 3165129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).