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

C15H16ClFN4 — CID 136517944

IUPAC4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCc1nccc(N2CCN(c3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C15H16ClFN4/c1-11-18-5-4-15(19-11)21-8-6-20(7-9-21)14-3-2-12(17)10-13(14)16/h2-5,10H,6-9H2,1H3
InChIKeyNXQDTXTXSGKDMZ-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.90
Rot. Bonds2

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

4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 136517944) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID136517944
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCc1nccc(N2CCN(c3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C15H16ClFN4/c1-11-18-5-4-15(19-11)21-8-6-20(7-9-21)14-3-2-12(17)10-13(14)16/h2-5,10H,6-9H2,1H3
InChIKeyNXQDTXTXSGKDMZ-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

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Related Compounds

5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 133458843
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
4-[4-(2-chloro-5-methyl-4-nitrophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133458818
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 171335729
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133458797
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpyrimidine
CID 63392077
4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline
CID 133304273

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine (CID 136517944) is 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine is Cc1nccc(N2CCN(c3ccc(F)cc3Cl)CC2)n1.
What is the InChIKey of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is NXQDTXTXSGKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-11-18-5-4-15(19-11)21-8-6-20(7-9-21)14-3-2-12(17)10-13(14)16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine?
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-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 4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 136517944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).