6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C113H129F15N34O13 — CID 159669590

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.COC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.Cc1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3Cc3ccccc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H29F3N8O2.C25H27F3N6O2.C22H28F3N7O4.C21H25F3N6O4.C20H20F3N7O/c1-35-6-4-17(5-7-35)38-23-3-2-16(14-31-23)32-22-13-20(33-24(34-22)36-8-10-37-11-9-36)18-15-30-21(29)12-19(18)25(26,27)28;26-25(27,28)20-13-22(29)30-15-19(20)21-14-23(32-24(31-21)33-6-9-35-10-7-33)34-8-11-36-16-18(34)12-17-4-2-1-3-5-17;1-13(2)35-21(33)32-5-3-14(4-6-32)36-17-11-16(28-20(29-17)31-7-9-34-10-8-31)15-12-27-19(26)30-18(15)22(23,24)25;1-32-20(31)30-4-2-13(3-5-30)34-18-11-16(27-19(28-18)29-6-8-33-9-7-29)14-12-26-17(25)10-15(14)21(22,23)24;1-12-8-13(2-3-25-12)27-18-10-16(28-19(29-18)30-4-6-31-7-5-30)14-11-26-17(24)9-15(14)20(21,22)23/h2-3,12-15,17H,4-11H2,1H3,(H2,29,30)(H,32,33,34);1-5,13-15,18H,6-12,16H2,(H2,29,30);11-14H,3-10H2,1-2H3,(H2,26,27,30);10-13H,2-9H2,1H3,(H2,25,26);2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29)
InChIKeyMTVGCPSNUXMNCO-UHFFFAOYSA-N
MW2456.47 g/mol
LogP15.78
Rot. Bonds24

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 159669590) has the molecular formula C113H129F15N34O13 and a molecular weight of 2456.47 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID159669590
Molecular FormulaC113H129F15N34O13
Molecular Weight2456.47 g/mol
Exact Mass2455.02
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.COC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.Cc1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3Cc3ccccc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H29F3N8O2.C25H27F3N6O2.C22H28F3N7O4.C21H25F3N6O4.C20H20F3N7O/c1-35-6-4-17(5-7-35)38-23-3-2-16(14-31-23)32-22-13-20(33-24(34-22)36-8-10-37-11-9-36)18-15-30-21(29)12-19(18)25(26,27)28;26-25(27,28)20-13-22(29)30-15-19(20)21-14-23(32-24(31-21)33-6-9-35-10-7-33)34-8-11-36-16-18(34)12-17-4-2-1-3-5-17;1-13(2)35-21(33)32-5-3-14(4-6-32)36-17-11-16(28-20(29-17)31-7-9-34-10-8-31)15-12-27-19(26)30-18(15)22(23,24)25;1-32-20(31)30-4-2-13(3-5-30)34-18-11-16(27-19(28-18)29-6-8-33-9-7-29)14-12-26-17(25)10-15(14)21(22,23)24;1-12-8-13(2-3-25-12)27-18-10-16(28-19(29-18)30-4-6-31-7-5-30)14-11-26-17(24)9-15(14)20(21,22)23/h2-3,12-15,17H,4-11H2,1H3,(H2,29,30)(H,32,33,34);1-5,13-15,18H,6-12,16H2,(H2,29,30);11-14H,3-10H2,1-2H3,(H2,26,27,30);10-13H,2-9H2,1H3,(H2,25,26);2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29)
InChIKeyMTVGCPSNUXMNCO-UHFFFAOYSA-N
XLogP15.78
TPSA551.01 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.47
LogP ≤ 515.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate 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-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 159669590) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.COC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.Cc1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3Cc3ccccc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is MTVGCPSNUXMNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N8O2.C25H27F3N6O2.C22H28F3N7O4.C21H25F3N6O4.C20H20F3N7O/c1-35-6-4-17(5-7-35)38-23-3-2-16(14-31-23)32-22-13-20(33-24(34-22)36-8-10-37-11-9-36)18-15-30-21(29)12-19(18)25(26,27)28;26-25(27,28)20-13-22(29)30-15-19(20)21-14-23(32-24(31-21)33-6-9-35-10-7-33)34-8-11-36-16-18(34)12-17-4-2-1-3-5-17;1-13(2)35-21(33)32-5-3-14(4-6-32)36-17-11-16(28-20(29-17)31-7-9-34-10-8-31)15-12-27-19(26)30-18(15)22(23,24)25;1-32-20(31)30-4-2-13(3-5-30)34-18-11-16(27-19(28-18)29-6-8-33-9-7-29)14-12-26-17(25)10-15(14)21(22,23)24;1-12-8-13(2-3-25-12)27-18-10-16(28-19(29-18)30-4-6-31-7-5-30)14-11-26-17(24)9-15(14)20(21,22)23/h2-3,12-15,17H,4-11H2,1H3,(H2,29,30)(H,32,33,34);1-5,13-15,18H,6-12,16H2,(H2,29,30);11-14H,3-10H2,1-2H3,(H2,26,27,30);10-13H,2-9H2,1H3,(H2,25,26);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-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 2456.47 g/mol, XLogP of 15.78, 24 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 159669590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).