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

C15H16ClFN4 — CID 62483420

IUPAC2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc(Cl)n1
InChIInChI=1S/C15H16ClFN4/c1-11-10-14(19-15(16)18-11)21-8-6-20(7-9-21)13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3
InChIKeyHACGNFMYQVOAAX-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.90
Rot. Bonds2

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

2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine (PubChem CID 62483420) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
PubChem CID62483420
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc(Cl)n1
InChIInChI=1S/C15H16ClFN4/c1-11-10-14(19-15(16)18-11)21-8-6-20(7-9-21)13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3
InChIKeyHACGNFMYQVOAAX-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585
1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole
CID 112923655
N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112917640
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 112923645
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80775135
4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 62482400
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 36723487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine (CID 62483420) is 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCN(c3ccccc3F)CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
The InChIKey is HACGNFMYQVOAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-11-10-14(19-15(16)18-11)21-8-6-20(7-9-21)13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine has a molecular weight of 306.77 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 62483420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).