5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid

C19H19F6N3O4 — CID 154924744

IUPAC5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
SMILESCc1c(C(F)(F)F)nc(-c2ccc(CN3CCOCC3)cc2)[nH]c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18F3N3O2.C2HF3O2/c1-11-14(17(18,19)20)21-15(22-16(11)24)13-4-2-12(3-5-13)10-23-6-8-25-9-7-23;3-2(4,5)1(6)7/h2-5H,6-10H2,1H3,(H,21,22,24);(H,6,7)
InChIKeyOTFWVYQFCAHZKK-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.23
Rot. Bonds3

About 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid

5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid (PubChem CID 154924744) has the molecular formula C19H19F6N3O4 and a molecular weight of 467.37 g/mol. Its IUPAC name is 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
PubChem CID154924744
Molecular FormulaC19H19F6N3O4
Molecular Weight467.37 g/mol
Exact Mass467.13
IUPAC Name5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
SMILESCc1c(C(F)(F)F)nc(-c2ccc(CN3CCOCC3)cc2)[nH]c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18F3N3O2.C2HF3O2/c1-11-14(17(18,19)20)21-15(22-16(11)24)13-4-2-12(3-5-13)10-23-6-8-25-9-7-23;3-2(4,5)1(6)7/h2-5H,6-10H2,1H3,(H,21,22,24);(H,6,7)
InChIKeyOTFWVYQFCAHZKK-UHFFFAOYSA-N
XLogP3.23
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]phenyl]-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154891942
4-[2-[4-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526514
4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,4-oxazepane;bis(2,2,2-trifluoroacetic acid)
CID 154886331
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400
2-[4-(piperidin-1-ylmethyl)phenyl]-4-pyridin-4-yl-1H-pyrimidin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 154890395
4-[2-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526500
6-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919298
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
3-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 44526364
4-(2-chlorophenyl)-2-[4-(piperazin-1-ylmethyl)phenyl]-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154890008
4-[[4-(3-fluoro-2-nitrophenyl)phenyl]methyl]morpholine;2,2,2-trifluoroacetic acid
CID 167763894
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid (CID 154924744) is 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid is Cc1c(C(F)(F)F)nc(-c2ccc(CN3CCOCC3)cc2)[nH]c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid?
The InChIKey is OTFWVYQFCAHZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2.C2HF3O2/c1-11-14(17(18,19)20)21-15(22-16(11)24)13-4-2-12(3-5-13)10-23-6-8-25-9-7-23;3-2(4,5)1(6)7/h2-5H,6-10H2,1H3,(H,21,22,24);(H,6,7).
What are the key properties of 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid?
5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid has a molecular weight of 467.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154924744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).