morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone

C22H19F3N4O2 — CID 90041497

IUPACmorpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
SMILESO=C(c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)19-6-7-26-21(28-19)27-18-13-16(15-4-2-1-3-5-15)12-17(14-18)20(30)29-8-10-31-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28)
InChIKeyYOSALBLQBYKSKF-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.38
Rot. Bonds4

About morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone

morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone (PubChem CID 90041497) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
PubChem CID90041497
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Namemorpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
SMILESO=C(c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)19-6-7-26-21(28-19)27-18-13-16(15-4-2-1-3-5-15)12-17(14-18)20(30)29-8-10-31-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28)
InChIKeyYOSALBLQBYKSKF-UHFFFAOYSA-N
XLogP4.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Momelotinib
CID 25062766
Jnk-IN-7
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Jnk-IN-8
CID 57340686
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CID 15991573
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
3-(2-(2-aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11545702
3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16109016
Aminopyrimidine amide urea, 23b
CID 16118191
Aminopyrimidine amide, 18
CID 16118193

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone (CID 90041497) is morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone is O=C(c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccccc2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone?
The InChIKey is YOSALBLQBYKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)19-6-7-26-21(28-19)27-18-13-16(15-4-2-1-3-5-15)12-17(14-18)20(30)29-8-10-31-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28).
What are the key properties of morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone?
morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone has a molecular weight of 428.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone is sourced from PubChem (CID 90041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).