2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine

C14H14ClFN4 — CID 59588234

IUPAC2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
SMILESFc1cc(-c2ccnc(Cl)n2)cc(N2CCNCC2)c1
InChIInChI=1S/C14H14ClFN4/c15-14-18-2-1-13(19-14)10-7-11(16)9-12(8-10)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2
InChIKeyZNTXKWBBIYOKII-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine

2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine (PubChem CID 59588234) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
PubChem CID59588234
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
SMILESFc1cc(-c2ccnc(Cl)n2)cc(N2CCNCC2)c1
InChIInChI=1S/C14H14ClFN4/c15-14-18-2-1-13(19-14)10-7-11(16)9-12(8-10)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2
InChIKeyZNTXKWBBIYOKII-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 59588104
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069
1-[3-fluoro-5-(2-fluorophenyl)phenyl]piperazine
CID 11708865
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
4-[3-(2-chloropyrimidin-4-yl)-5-nitrophenyl]morpholine
CID 59587987
1-[4-(3-fluorophenyl)pyrimidin-2-yl]-1,4-diazepane
CID 103279542
6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride
CID 154914716
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide
CID 117077961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine (CID 59588234) is 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine is Fc1cc(-c2ccnc(Cl)n2)cc(N2CCNCC2)c1.
What is the InChIKey of 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine?
The InChIKey is ZNTXKWBBIYOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c15-14-18-2-1-13(19-14)10-7-11(16)9-12(8-10)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2.
What are the key properties of 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine?
2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine has a molecular weight of 292.75 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine is sourced from PubChem (CID 59588234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).