4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine

C22H19F4N3O — CID 58089372

IUPAC4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCOCC2)c1
InChIInChI=1S/C22H19F4N3O/c1-14-3-2-4-16(13-14)18-19(15-5-7-17(23)8-6-15)27-21(22(24,25)26)28-20(18)29-9-11-30-12-10-29/h2-8,13H,9-12H2,1H3
InChIKeyKYXADOHIEBEWBP-UHFFFAOYSA-N
MW417.41 g/mol
LogP5.11
Rot. Bonds3

About 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine

4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 58089372) has the molecular formula C22H19F4N3O and a molecular weight of 417.41 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID58089372
Molecular FormulaC22H19F4N3O
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC Name4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCOCC2)c1
InChIInChI=1S/C22H19F4N3O/c1-14-3-2-4-16(13-14)18-19(15-5-7-17(23)8-6-15)27-21(22(24,25)26)28-20(18)29-9-11-30-12-10-29/h2-8,13H,9-12H2,1H3
InChIKeyKYXADOHIEBEWBP-UHFFFAOYSA-N
XLogP5.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 24960492
3-[4-(4-fluorophenyl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidin-5-yl]aniline
CID 143840082
[4-[5-(4-fluorophenyl)-2-(trifluoromethyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]phenyl]methanesulfinic acid
CID 174558221
4-[6-(4-fluorophenyl)-3-methyl-1,2,4-triazin-5-yl]morpholine
CID 6405048
4-[4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 16958132
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874455
3-[4-[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-6-phenyl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
CID 24961953
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946
2,2,2-trifluoro-N-[3-[4-phenyl-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide
CID 87333021
2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 57442061

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 58089372) is 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is Cc1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCOCC2)c1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is KYXADOHIEBEWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O/c1-14-3-2-4-16(13-14)18-19(15-5-7-17(23)8-6-15)27-21(22(24,25)26)28-20(18)29-9-11-30-12-10-29/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 417.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 58089372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).