6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C105H120F15N33O15S2 — CID 159935756

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNC(=O)C1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC4(CCCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)CCO)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(NC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C24H26F3N7O4S.C22H23F3N6O4S.C22H27F3N6O2.C19H22F3N7O3.C18H22F3N7O2/c25-24(26,27)19-13-21(28)29-15-18(19)20-14-22(32-23(31-20)33-4-8-37-9-5-33)30-16-2-1-3-17(12-16)39(35,36)34-6-10-38-11-7-34;23-22(24,25)17-11-19(26)27-13-16(17)18-12-20(30-21(29-18)31-4-7-35-8-5-31)28-14-2-1-3-15(10-14)36(33,34)9-6-32;23-22(24,25)16-11-18(26)27-13-15(16)17-12-19(29-20(28-17)30-5-8-32-9-6-30)31-7-10-33-21(14-31)3-1-2-4-21;20-19(21,22)12-7-15(23)25-9-11(12)13-8-16(29-3-6-32-14(10-29)17(24)30)27-18(26-13)28-1-4-31-5-2-28;19-18(20,21)15-12(10-23-16(22)27-15)13-9-14(24-11-1-5-29-6-2-11)26-17(25-13)28-3-7-30-8-4-28/h1-3,12-15H,4-11H2,(H2,28,29)(H,30,31,32);1-3,10-13,32H,4-9H2,(H2,26,27)(H,28,29,30);11-13H,1-10,14H2,(H2,26,27);7-9,14H,1-6,10H2,(H2,23,25)(H2,24,30);9-11H,1-8H2,(H2,22,23,27)(H,24,25,26)
InChIKeyOAFQJEZZNLXXMO-UHFFFAOYSA-N
MW2433.43 g/mol
LogP10.98
Rot. Bonds24

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159935756) has the molecular formula C105H120F15N33O15S2 and a molecular weight of 2433.43 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID159935756
Molecular FormulaC105H120F15N33O15S2
Molecular Weight2433.43 g/mol
Exact Mass2431.88
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNC(=O)C1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC4(CCCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)CCO)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(NC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C24H26F3N7O4S.C22H23F3N6O4S.C22H27F3N6O2.C19H22F3N7O3.C18H22F3N7O2/c25-24(26,27)19-13-21(28)29-15-18(19)20-14-22(32-23(31-20)33-4-8-37-9-5-33)30-16-2-1-3-17(12-16)39(35,36)34-6-10-38-11-7-34;23-22(24,25)17-11-19(26)27-13-16(17)18-12-20(30-21(29-18)31-4-7-35-8-5-31)28-14-2-1-3-15(10-14)36(33,34)9-6-32;23-22(24,25)16-11-18(26)27-13-15(16)17-12-19(29-20(28-17)30-5-8-32-9-6-30)31-7-10-33-21(14-31)3-1-2-4-21;20-19(21,22)12-7-15(23)25-9-11(12)13-8-16(29-3-6-32-14(10-29)17(24)30)27-18(26-13)28-1-4-31-5-2-28;19-18(20,21)15-12(10-23-16(22)27-15)13-9-14(24-11-1-5-29-6-2-11)26-17(25-13)28-3-7-30-8-4-28/h1-3,12-15H,4-11H2,(H2,28,29)(H,30,31,32);1-3,10-13,32H,4-9H2,(H2,26,27)(H,28,29,30);11-13H,1-10,14H2,(H2,26,27);7-9,14H,1-6,10H2,(H2,23,25)(H2,24,30);9-11H,1-8H2,(H2,22,23,27)(H,24,25,26)
InChIKeyOAFQJEZZNLXXMO-UHFFFAOYSA-N
XLogP10.98
TPSA613.02 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002433.43
LogP ≤ 510.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 159935756) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is NC(=O)C1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC4(CCCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)CCO)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(NC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OAFQJEZZNLXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O4S.C22H23F3N6O4S.C22H27F3N6O2.C19H22F3N7O3.C18H22F3N7O2/c25-24(26,27)19-13-21(28)29-15-18(19)20-14-22(32-23(31-20)33-4-8-37-9-5-33)30-16-2-1-3-17(12-16)39(35,36)34-6-10-38-11-7-34;23-22(24,25)17-11-19(26)27-13-16(17)18-12-20(30-21(29-18)31-4-7-35-8-5-31)28-14-2-1-3-15(10-14)36(33,34)9-6-32;23-22(24,25)16-11-18(26)27-13-15(16)17-12-19(29-20(28-17)30-5-8-32-9-6-30)31-7-10-33-21(14-31)3-1-2-4-21;20-19(21,22)12-7-15(23)25-9-11(12)13-8-16(29-3-6-32-14(10-29)17(24)30)27-18(26-13)28-1-4-31-5-2-28;19-18(20,21)15-12(10-23-16(22)27-15)13-9-14(24-11-1-5-29-6-2-11)26-17(25-13)28-3-7-30-8-4-28/h1-3,12-15H,4-11H2,(H2,28,29)(H,30,31,32);1-3,10-13,32H,4-9H2,(H2,26,27)(H,28,29,30);11-13H,1-10,14H2,(H2,26,27);7-9,14H,1-6,10H2,(H2,23,25)(H2,24,30);9-11H,1-8H2,(H2,22,23,27)(H,24,25,26).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2433.43 g/mol, XLogP of 10.98, 24 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).