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

C14H14ClFN4 — CID 60673897

IUPAC2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccccc1N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C14H14ClFN4/c15-14-17-6-5-13(18-14)20-9-7-19(8-10-20)12-4-2-1-3-11(12)16/h1-6H,7-10H2
InChIKeyLBMSZYDUIRFRLC-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.60
Rot. Bonds2

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

2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine (PubChem CID 60673897) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
PubChem CID60673897
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccccc1N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C14H14ClFN4/c15-14-17-6-5-13(18-14)20-9-7-19(8-10-20)12-4-2-1-3-11(12)16/h1-6H,7-10H2
InChIKeyLBMSZYDUIRFRLC-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
N-(2,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898451
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887167
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
N-(2,3-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898456
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine (CID 60673897) is 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine is Fc1ccccc1N1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
The InChIKey is LBMSZYDUIRFRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c15-14-17-6-5-13(18-14)20-9-7-19(8-10-20)12-4-2-1-3-11(12)16/h1-6H,7-10H2.
What are the key properties of 2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine has a molecular weight of 292.75 g/mol, XLogP of 2.60, 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]pyrimidine is sourced from PubChem (CID 60673897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).