6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)

C108H111F15N32O14S4 — CID 157073805

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)
SMILESCC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)C1.CS(=O)(=O)c1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1ccnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C26H31F3N8O2.2C21H20F3N5O3S.2C20H20F3N7O3S/c1-16(2)37-6-5-18(15-37)39-24-4-3-17(13-32-24)33-23-12-21(34-25(35-23)36-7-9-38-10-8-36)19-14-31-22(30)11-20(19)26(27,28)29;2*1-33(30,31)14-4-2-3-13(9-14)17-11-18(28-20(27-17)29-5-7-32-8-6-29)15-12-26-19(25)10-16(15)21(22,23)24;1-34(31,32)18-8-12(2-3-25-18)27-17-10-15(28-19(29-17)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23;1-34(31,32)12-2-3-25-17(8-12)28-18-10-15(27-19(29-18)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23/h3-4,11-14,16,18H,5-10,15H2,1-2H3,(H2,30,31)(H,33,34,35);2*2-4,9-12H,5-8H2,1H3,(H2,25,26);2*2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29)
InChIKeyACSTXLULYGMUFI-UHFFFAOYSA-N
MW2494.52 g/mol
LogP15.11
Rot. Bonds25

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine) (PubChem CID 157073805) has the molecular formula C108H111F15N32O14S4 and a molecular weight of 2494.52 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine).

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)
PubChem CID157073805
Molecular FormulaC108H111F15N32O14S4
Molecular Weight2494.52 g/mol
Exact Mass2492.76
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)
SMILESCC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)C1.CS(=O)(=O)c1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1ccnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C26H31F3N8O2.2C21H20F3N5O3S.2C20H20F3N7O3S/c1-16(2)37-6-5-18(15-37)39-24-4-3-17(13-32-24)33-23-12-21(34-25(35-23)36-7-9-38-10-8-36)19-14-31-22(30)11-20(19)26(27,28)29;2*1-33(30,31)14-4-2-3-13(9-14)17-11-18(28-20(27-17)29-5-7-32-8-6-29)15-12-26-19(25)10-16(15)21(22,23)24;1-34(31,32)18-8-12(2-3-25-18)27-17-10-15(28-19(29-17)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23;1-34(31,32)12-2-3-25-17(8-12)28-18-10-15(27-19(29-18)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23/h3-4,11-14,16,18H,5-10,15H2,1-2H3,(H2,30,31)(H,33,34,35);2*2-4,9-12H,5-8H2,1H3,(H2,25,26);2*2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29)
InChIKeyACSTXLULYGMUFI-UHFFFAOYSA-N
XLogP15.11
TPSA609.59 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds25
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002494.52
LogP ≤ 515.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine) (CID 157073805) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine).
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine) is CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)C1.CS(=O)(=O)c1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1ccnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)?
The InChIKey is ACSTXLULYGMUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N8O2.2C21H20F3N5O3S.2C20H20F3N7O3S/c1-16(2)37-6-5-18(15-37)39-24-4-3-17(13-32-24)33-23-12-21(34-25(35-23)36-7-9-38-10-8-36)19-14-31-22(30)11-20(19)26(27,28)29;2*1-33(30,31)14-4-2-3-13(9-14)17-11-18(28-20(27-17)29-5-7-32-8-6-29)15-12-26-19(25)10-16(15)21(22,23)24;1-34(31,32)18-8-12(2-3-25-18)27-17-10-15(28-19(29-17)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23;1-34(31,32)12-2-3-25-17(8-12)28-18-10-15(27-19(29-18)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23/h3-4,11-14,16,18H,5-10,15H2,1-2H3,(H2,30,31)(H,33,34,35);2*2-4,9-12H,5-8H2,1H3,(H2,25,26);2*2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine) has a molecular weight of 2494.52 g/mol, XLogP of 15.11, 25 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine) is sourced from PubChem (CID 157073805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).