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

C24H25F3N4O2 — CID 118307515

IUPAC2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(N3CCOCC3)c2)c1
InChIInChI=1S/C24H25F3N4O2/c1-23(2,32)18-5-3-4-16(12-18)17-13-19(15-20(14-17)31-8-10-33-11-9-31)29-22-28-7-6-21(30-22)24(25,26)27/h3-7,12-15,32H,8-11H2,1-2H3,(H,28,29,30)
InChIKeyKNPXQLVVTMDGKT-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.97
Rot. Bonds5

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

2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol (PubChem CID 118307515) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
PubChem CID118307515
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(N3CCOCC3)c2)c1
InChIInChI=1S/C24H25F3N4O2/c1-23(2,32)18-5-3-4-16(12-18)17-13-19(15-20(14-17)31-8-10-33-11-9-31)29-22-28-7-6-21(30-22)24(25,26)27/h3-7,12-15,32H,8-11H2,1-2H3,(H,28,29,30)
InChIKeyKNPXQLVVTMDGKT-UHFFFAOYSA-N
XLogP4.97
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol with MolForge

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Related Compounds

(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
CID 24894017
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)phenyl)methanol
CID 25014844
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(2-methoxyethyl)amino)-4-methylphenyl)methanol
CID 25015556
(4-Methyl-3-(methyl(2-(3-morpholino-5-(1,4-oxazepan-4-yl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015691
(4-Methyl-3-(methyl(2-(3-(4-methylpiperazin-1-yl)-5-morpholinophenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015692
(4-Methyl-3-(methyl(2-(3-morpholino-5-(pyrrolidin-1-yl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015693
(4-Methyl-3-(methyl(2-(3-morpholino-5-(piperidin-1-yl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015694
(4-Methyl-3-(methyl(2-(3-morpholino-5-(morpholinomethyl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
CID 25015695
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(ethyl)amino)-4-methylphenyl)methanol
CID 54582972
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(isopropyl)amino)-4-methylphenyl)methanol
CID 54583964
(16E)-19-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739949
1-(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)ethanol
CID 25015027

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol (CID 118307515) is 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(N3CCOCC3)c2)c1.
What is the InChIKey of 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol?
The InChIKey is KNPXQLVVTMDGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-23(2,32)18-5-3-4-16(12-18)17-13-19(15-20(14-17)31-8-10-33-11-9-31)29-22-28-7-6-21(30-22)24(25,26)27/h3-7,12-15,32H,8-11H2,1-2H3,(H,28,29,30).
What are the key properties of 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol?
2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol has a molecular weight of 458.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 118307515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).