1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol

C42H43ClF12N12O2 — CID 145181975

IUPAC1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol
SMILESC.CC(C)(O)CNc1cc(-c2cccc(C(F)(F)F)n2)nc(Nc2ccnc(C(F)(F)F)c2)n1.CC(C)(O)CNc1cc(Cl)nc(Nc2ccnc(C(F)(F)F)c2)n1.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F6N6O.C14H15ClF3N5O.C7H6F3N.CH4/c1-18(2,33)10-28-16-9-13(12-4-3-5-14(30-12)19(21,22)23)31-17(32-16)29-11-6-7-27-15(8-11)20(24,25)26;1-13(2,24)7-20-11-6-10(15)22-12(23-11)21-8-3-4-19-9(5-8)14(16,17)18;1-5-3-2-4-6(11-5)7(8,9)10;/h3-9,33H,10H2,1-2H3,(H2,27,28,29,31,32);3-6,24H,7H2,1-2H3,(H2,19,20,21,22,23);2-4H,1H3;1H4
InChIKeyZHSHADPFWNLEKL-UHFFFAOYSA-N
MW1011.32 g/mol
LogP11.41
Rot. Bonds11

About 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol

1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 145181975) has the molecular formula C42H43ClF12N12O2 and a molecular weight of 1011.32 g/mol. Its IUPAC name is 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol
PubChem CID145181975
Molecular FormulaC42H43ClF12N12O2
Molecular Weight1011.32 g/mol
Exact Mass1010.31
IUPAC Name1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol
SMILESC.CC(C)(O)CNc1cc(-c2cccc(C(F)(F)F)n2)nc(Nc2ccnc(C(F)(F)F)c2)n1.CC(C)(O)CNc1cc(Cl)nc(Nc2ccnc(C(F)(F)F)c2)n1.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F6N6O.C14H15ClF3N5O.C7H6F3N.CH4/c1-18(2,33)10-28-16-9-13(12-4-3-5-14(30-12)19(21,22)23)31-17(32-16)29-11-6-7-27-15(8-11)20(24,25)26;1-13(2,24)7-20-11-6-10(15)22-12(23-11)21-8-3-4-19-9(5-8)14(16,17)18;1-5-3-2-4-6(11-5)7(8,9)10;/h3-9,33H,10H2,1-2H3,(H2,27,28,29,31,32);3-6,24H,7H2,1-2H3,(H2,19,20,21,22,23);2-4H,1H3;1H4
InChIKeyZHSHADPFWNLEKL-UHFFFAOYSA-N
XLogP11.41
TPSA191.70 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001011.32
LogP ≤ 511.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

Enasidenib
CID 89683805
2-Methyl-1-[[4-(pyridin-4-ylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 162668503
4-[[4-[(2-Hydroxy-2-methylpropyl)amino]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
CID 117799170
2-Methyl-1-[[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]-6-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 158554640
2-Methyl-1-[4-(2-trifluoromethyl-pyridin-4-ylamino)-6-(4-trifluoromethyl-pyrimidin-2-yl)-[1,3,5]triazin-2-ylamino]-propan-2-ol
CID 86690576
Tert-butyl 4-[[4-(6-chloropyridin-2-yl)-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
CID 89683771
1-[[4-(6-Chloro-2-pyridinyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 89683780
1-[[4-(6-Chloro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 89683791
1-[[4-(6-Chloropyridin-2-yl)-6-[[5-(trifluoromethyl)pyridin-3-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 89683793
1-[[4-(6-Chloro-2-pyridinyl)-6-[(6-fluoro-3-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 89683813
1-[[4-(6-Chloropyridin-2-yl)-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 89683814
1-[[4-(6-Chloropyridin-2-yl)-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 89683839

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol (CID 145181975) is 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol is C.CC(C)(O)CNc1cc(-c2cccc(C(F)(F)F)n2)nc(Nc2ccnc(C(F)(F)F)c2)n1.CC(C)(O)CNc1cc(Cl)nc(Nc2ccnc(C(F)(F)F)c2)n1.Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is ZHSHADPFWNLEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N6O.C14H15ClF3N5O.C7H6F3N.CH4/c1-18(2,33)10-28-16-9-13(12-4-3-5-14(30-12)19(21,22)23)31-17(32-16)29-11-6-7-27-15(8-11)20(24,25)26;1-13(2,24)7-20-11-6-10(15)22-12(23-11)21-8-3-4-19-9(5-8)14(16,17)18;1-5-3-2-4-6(11-5)7(8,9)10;/h3-9,33H,10H2,1-2H3,(H2,27,28,29,31,32);3-6,24H,7H2,1-2H3,(H2,19,20,21,22,23);2-4H,1H3;1H4.
What are the key properties of 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol?
1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 1011.32 g/mol, XLogP of 11.41, 11 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;methane;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-1-[[6-[6-(trifluoromethyl)-2-pyridinyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 145181975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).