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

C17H21FN4 — CID 163344141

IUPAC4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C17H21FN4/c1-3-15-12-17(20-13(2)19-15)22-10-8-21(9-11-22)16-6-4-14(18)5-7-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyNEMMNUYCXRLWPS-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.81
Rot. Bonds3

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

4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 163344141) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID163344141
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C17H21FN4/c1-3-15-12-17(20-13(2)19-15)22-10-8-21(9-11-22)16-6-4-14(18)5-7-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyNEMMNUYCXRLWPS-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine 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 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine (CID 163344141) is 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine is CCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(C)n1.
What is the InChIKey of 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is NEMMNUYCXRLWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-3-15-12-17(20-13(2)19-15)22-10-8-21(9-11-22)16-6-4-14(18)5-7-16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 300.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 163344141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).