4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine

C25H26ClF2N5O — CID 91263117

IUPAC4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2ccccc2F)CCN1c1cc(-c2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H26ClF2N5O/c1-17-16-32(23-5-3-2-4-21(23)28)8-9-33(17)24-15-22(18-6-7-20(27)19(26)14-18)29-25(30-24)31-10-12-34-13-11-31/h2-7,14-15,17H,8-13,16H2,1H3
InChIKeyFLWFRZBBPFFPQZ-UHFFFAOYSA-N
MW485.97 g/mol
LogP4.63
Rot. Bonds4

About 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 91263117) has the molecular formula C25H26ClF2N5O and a molecular weight of 485.97 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID91263117
Molecular FormulaC25H26ClF2N5O
Molecular Weight485.97 g/mol
Exact Mass485.18
IUPAC Name4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2ccccc2F)CCN1c1cc(-c2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H26ClF2N5O/c1-17-16-32(23-5-3-2-4-21(23)28)8-9-33(17)24-15-22(18-6-7-20(27)19(26)14-18)29-25(30-24)31-10-12-34-13-11-31/h2-7,14-15,17H,8-13,16H2,1H3
InChIKeyFLWFRZBBPFFPQZ-UHFFFAOYSA-N
XLogP4.63
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-4-fluorophenyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-(4-propylpiperazin-1-yl)pyrimidine
CID 90743821
4-(3-chloro-4-fluorophenyl)-2-(2-methylazetidin-1-yl)-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 142990886
4-[4-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(4-ethylphenyl)pyrimidin-2-yl]morpholine
CID 90999058
4-[4-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(3-ethoxyphenyl)pyrimidin-2-yl]morpholine
CID 90856244
4-[4-(3-chloropyrazin-2-yl)-2-methylpiperazin-1-yl]-6-(3,4-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 91245694
[5-chloro-6-[(3R)-4-[6-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]methanol
CID 11599006
methyl 5-chloro-6-[(3R)-4-[6-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyridine-3-carboxylate
CID 11548572
4-[(2S)-4-(3-chloro-2,3-dihydropyrazin-2-yl)-2-methylpiperazin-1-yl]-6-(3-chloro-4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
CID 142990769
4-[4-(3-chloropyrazin-2-yl)-2-methylpiperazin-1-yl]-6-(4-fluoro-3-methylphenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine
CID 87589309
[5-chloro-6-[(3R)-4-[6-(4-chlorophenyl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]methoxymethanol
CID 58657801
5-chloro-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 66838862
4-(3-fluoro-4-methylphenyl)-6-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
CID 70990736

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine (CID 91263117) is 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine is CC1CN(c2ccccc2F)CCN1c1cc(-c2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is FLWFRZBBPFFPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF2N5O/c1-17-16-32(23-5-3-2-4-21(23)28)8-9-33(17)24-15-22(18-6-7-20(27)19(26)14-18)29-25(30-24)31-10-12-34-13-11-31/h2-7,14-15,17H,8-13,16H2,1H3.
What are the key properties of 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 485.97 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenyl)-6-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91263117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).