2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine

C14H13Cl2FN4 — CID 171327142

IUPAC2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(c3cccc(Cl)c3Cl)CC2)nc1
InChIInChI=1S/C14H13Cl2FN4/c15-11-2-1-3-12(13(11)16)20-4-6-21(7-5-20)14-18-8-10(17)9-19-14/h1-3,8-9H,4-7H2
InChIKeyWPKLFMIGIIDANR-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.25
Rot. Bonds2

About 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine

2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine (PubChem CID 171327142) has the molecular formula C14H13Cl2FN4 and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine
PubChem CID171327142
Molecular FormulaC14H13Cl2FN4
Molecular Weight327.19 g/mol
Exact Mass326.05
IUPAC Name2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(c3cccc(Cl)c3Cl)CC2)nc1
InChIInChI=1S/C14H13Cl2FN4/c15-11-2-1-3-12(13(11)16)20-4-6-21(7-5-20)14-18-8-10(17)9-19-14/h1-3,8-9H,4-7H2
InChIKeyWPKLFMIGIIDANR-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine (CID 171327142) is 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine is Fc1cnc(N2CCN(c3cccc(Cl)c3Cl)CC2)nc1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine?
The InChIKey is WPKLFMIGIIDANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN4/c15-11-2-1-3-12(13(11)16)20-4-6-21(7-5-20)14-18-8-10(17)9-19-14/h1-3,8-9H,4-7H2.
What are the key properties of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine?
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine has a molecular weight of 327.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 171327142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).