4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

C16H16F3N3O — CID 133449879

IUPAC4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)nc1
InChIInChI=1S/C16H16F3N3O/c1-11-8-20-15(21-9-11)22-6-7-23-14(10-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8-9,14H,6-7,10H2,1H3
InChIKeyNFPDBKXKKYYHSJ-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.38
Rot. Bonds2

About 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449879) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449879
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)nc1
InChIInChI=1S/C16H16F3N3O/c1-11-8-20-15(21-9-11)22-6-7-23-14(10-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8-9,14H,6-7,10H2,1H3
InChIKeyNFPDBKXKKYYHSJ-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 133405359
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 126816240
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449954
4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile
CID 133449937
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449807

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449879) is 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is Cc1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is NFPDBKXKKYYHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-11-8-20-15(21-9-11)22-6-7-23-14(10-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8-9,14H,6-7,10H2,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 323.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).