2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine

C8H10ClFN4 — CID 53393355

IUPAC2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
SMILESFc1cnc(Cl)nc1N1CCNCC1
InChIInChI=1S/C8H10ClFN4/c9-8-12-5-6(10)7(13-8)14-3-1-11-2-4-14/h5,11H,1-4H2
InChIKeyXWTZBZZMKAJSSV-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.68
Rot. Bonds1

About 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine

2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine (PubChem CID 53393355) has the molecular formula C8H10ClFN4 and a molecular weight of 216.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
PubChem CID53393355
Molecular FormulaC8H10ClFN4
Molecular Weight216.65 g/mol
Exact Mass216.06
IUPAC Name2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
SMILESFc1cnc(Cl)nc1N1CCNCC1
InChIInChI=1S/C8H10ClFN4/c9-8-12-5-6(10)7(13-8)14-3-1-11-2-4-14/h5,11H,1-4H2
InChIKeyXWTZBZZMKAJSSV-UHFFFAOYSA-N
XLogP0.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
6-(2-chloro-5-fluoropyrimidin-4-yl)-6-azaspiro[3.4]octan-8-one
CID 172608383
2-chloro-4-piperazin-1-yl-1,3,5-triazine
CID 54357139
3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 86730264
2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine
CID 170985227
5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
CID 172581443
5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
CID 177335038
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine (CID 53393355) is 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine is Fc1cnc(Cl)nc1N1CCNCC1.
What is the InChIKey of 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine?
The InChIKey is XWTZBZZMKAJSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN4/c9-8-12-5-6(10)7(13-8)14-3-1-11-2-4-14/h5,11H,1-4H2.
What are the key properties of 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine?
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine has a molecular weight of 216.65 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine is sourced from PubChem (CID 53393355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).