2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol

C21H22F3N5O — CID 118092767

IUPAC2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(NCC(C)(C)O)nc2)c1
InChIInChI=1S/C21H22F3N5O/c1-13-8-15(14-4-5-18(26-11-14)27-12-20(2,3)30)10-16(9-13)28-19-25-7-6-17(29-19)21(22,23)24/h4-11,30H,12H2,1-3H3,(H,26,27)(H,25,28,29)
InChIKeyADXGIGSTIKNZTP-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.79
Rot. Bonds6

About 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol

2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 118092767) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol
PubChem CID118092767
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(NCC(C)(C)O)nc2)c1
InChIInChI=1S/C21H22F3N5O/c1-13-8-15(14-4-5-18(26-11-14)27-12-20(2,3)30)10-16(9-13)28-19-25-7-6-17(29-19)21(22,23)24/h4-11,30H,12H2,1-3H3,(H,26,27)(H,25,28,29)
InChIKeyADXGIGSTIKNZTP-UHFFFAOYSA-N
XLogP4.79
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol with MolForge

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Related Compounds

4,4,4-trifluoro-2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]butanoic acid
CID 118093086
N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 118092944
(2S)-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propanoic acid
CID 72705402
(2S)-3-hydroxy-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]butanoic acid
CID 135221211
(2R)-3-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]pentanoic acid
CID 118092681
4-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]pentanoic acid
CID 121426695
5-[[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]methyl]pyrrolidin-2-one
CID 118092712
1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol
CID 118093033
N-[3-(2-aminopyrimidin-5-yl)-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72709972
N-[3-(6-ethynyl-3-pyridinyl)-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 131735920
N-ethyl-N-methyl-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide
CID 118092667
tert-butyl 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]acetate
CID 131735889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol (CID 118092767) is 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(NCC(C)(C)O)nc2)c1.
What is the InChIKey of 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is ADXGIGSTIKNZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c1-13-8-15(14-4-5-18(26-11-14)27-12-20(2,3)30)10-16(9-13)28-19-25-7-6-17(29-19)21(22,23)24/h4-11,30H,12H2,1-3H3,(H,26,27)(H,25,28,29).
What are the key properties of 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol?
2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 417.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 118092767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).