4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine

C17H17F4N3O — CID 56877170

IUPAC4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
SMILESCc1nc(C(F)(F)F)nc(N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C17H17F4N3O/c1-10-11(2)22-16(17(19,20)21)23-15(10)24-7-8-25-14(9-24)12-3-5-13(18)6-4-12/h3-6,14H,7-9H2,1-2H3
InChIKeySUUCZKALQAQULR-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.83
Rot. Bonds2

About 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine

4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine (PubChem CID 56877170) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
PubChem CID56877170
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC Name4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
SMILESCc1nc(C(F)(F)F)nc(N2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C17H17F4N3O/c1-10-11(2)22-16(17(19,20)21)23-15(10)24-7-8-25-14(9-24)12-3-5-13(18)6-4-12/h3-6,14H,7-9H2,1-2H3
InChIKeySUUCZKALQAQULR-UHFFFAOYSA-N
XLogP3.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine
CID 133290851
4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine
CID 163312558
(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726620
2-(2-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
CID 133363508
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
(2R)-4-tert-butyl-2-(4-fluorophenyl)morpholine
CID 67354572
(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 36726848
methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47023080
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449954
(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94180497

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine (CID 56877170) is 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine is Cc1nc(C(F)(F)F)nc(N2CCOC(c3ccc(F)cc3)C2)c1C.
What is the InChIKey of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine?
The InChIKey is SUUCZKALQAQULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O/c1-10-11(2)22-16(17(19,20)21)23-15(10)24-7-8-25-14(9-24)12-3-5-13(18)6-4-12/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine?
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine has a molecular weight of 355.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 56877170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).