4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

C19H22F3N3O — CID 133449908

IUPAC4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)nc(C(C)C)n1
InChIInChI=1S/C19H22F3N3O/c1-12(2)18-23-13(3)10-17(24-18)25-8-9-26-16(11-25)14-4-6-15(7-5-14)19(20,21)22/h4-7,10,12,16H,8-9,11H2,1-3H3
InChIKeyZXOXAWDUFAKMED-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.51
Rot. Bonds3

About 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449908) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449908
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)nc(C(C)C)n1
InChIInChI=1S/C19H22F3N3O/c1-12(2)18-23-13(3)10-17(24-18)25-8-9-26-16(11-25)14-4-6-15(7-5-14)19(20,21)22/h4-7,10,12,16H,8-9,11H2,1-3H3
InChIKeyZXOXAWDUFAKMED-UHFFFAOYSA-N
XLogP4.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449954
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide
CID 79681577
4-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95584085
2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
CID 56877952
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine
CID 125000848
2-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine
CID 110113388
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449908) is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is Cc1cc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)nc(C(C)C)n1.
What is the InChIKey of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is ZXOXAWDUFAKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-12(2)18-23-13(3)10-17(24-18)25-8-9-26-16(11-25)14-4-6-15(7-5-14)19(20,21)22/h4-7,10,12,16H,8-9,11H2,1-3H3.
What are the key properties of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 365.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).