1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C78H98ClF9N22O13 — CID 161132437

IUPAC1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H29F3N6O4.C20H23F3N6O3.C18H21F3N6O2.C17H25ClN4O4/c1-22(2,3)36-21(33)32-5-4-14(13-32)35-19-11-17(29-20(30-19)31-6-8-34-9-7-31)15-12-28-18(27)10-16(15)23(24,25)26;1-12(30)29-3-2-13(11-29)32-18-9-16(26-19(27-18)28-4-6-31-7-5-28)14-10-25-17(24)8-15(14)20(21,22)23;19-18(20,21)13-7-15(22)24-10-12(13)14-8-16(29-11-1-2-23-9-11)26-17(25-14)27-3-5-28-6-4-27;1-17(2,3)26-16(23)22-5-4-12(11-22)25-14-10-13(18)19-15(20-14)21-6-8-24-9-7-21/h10-12,14H,4-9,13H2,1-3H3,(H2,27,28);8-10,13H,2-7,11H2,1H3,(H2,24,25);7-8,10-11,23H,1-6,9H2,(H2,22,24);10,12H,4-9,11H2,1-3H3
InChIKeyUMJHEZUDRPRCSA-UHFFFAOYSA-N
MW1758.22 g/mol
LogP9.41
Rot. Bonds15

About 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161132437) has the molecular formula C78H98ClF9N22O13 and a molecular weight of 1758.22 g/mol. Its IUPAC name is 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID161132437
Molecular FormulaC78H98ClF9N22O13
Molecular Weight1758.22 g/mol
Exact Mass1756.72
IUPAC Name1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H29F3N6O4.C20H23F3N6O3.C18H21F3N6O2.C17H25ClN4O4/c1-22(2,3)36-21(33)32-5-4-14(13-32)35-19-11-17(29-20(30-19)31-6-8-34-9-7-31)15-12-28-18(27)10-16(15)23(24,25)26;1-12(30)29-3-2-13(11-29)32-18-9-16(26-19(27-18)28-4-6-31-7-5-28)14-10-25-17(24)8-15(14)20(21,22)23;19-18(20,21)13-7-15(22)24-10-12(13)14-8-16(29-11-1-2-23-9-11)26-17(25-14)27-3-5-28-6-4-27;1-17(2,3)26-16(23)22-5-4-12(11-22)25-14-10-13(18)19-15(20-14)21-6-8-24-9-7-21/h10-12,14H,4-9,13H2,1-3H3,(H2,27,28);8-10,13H,2-7,11H2,1H3,(H2,24,25);7-8,10-11,23H,1-6,9H2,(H2,22,24);10,12H,4-9,11H2,1-3H3
InChIKeyUMJHEZUDRPRCSA-UHFFFAOYSA-N
XLogP9.41
TPSA398.07 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001758.22
LogP ≤ 59.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507810
tert-butyl (3S)-3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 59507999
2-amino-5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-1H-pyrimidin-6-one;tert-butyl 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 159773803
tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 143514654
4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine
CID 59507455
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
propan-2-yl (3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507583
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-(4-fluorophenyl)methanone
CID 59507796
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine
CID 59507494
2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-tert-butylbenzenesulfonamide
CID 59507814
1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-1,3,3-trimethylurea
CID 118637874

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 161132437) is 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCNC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UMJHEZUDRPRCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O4.C20H23F3N6O3.C18H21F3N6O2.C17H25ClN4O4/c1-22(2,3)36-21(33)32-5-4-14(13-32)35-19-11-17(29-20(30-19)31-6-8-34-9-7-31)15-12-28-18(27)10-16(15)23(24,25)26;1-12(30)29-3-2-13(11-29)32-18-9-16(26-19(27-18)28-4-6-31-7-5-28)14-10-25-17(24)8-15(14)20(21,22)23;19-18(20,21)13-7-15(22)24-10-12(13)14-8-16(29-11-1-2-23-9-11)26-17(25-14)27-3-5-28-6-4-27;1-17(2,3)26-16(23)22-5-4-12(11-22)25-14-10-13(18)19-15(20-14)21-6-8-24-9-7-21/h10-12,14H,4-9,13H2,1-3H3,(H2,27,28);8-10,13H,2-7,11H2,1H3,(H2,24,25);7-8,10-11,23H,1-6,9H2,(H2,22,24);10,12H,4-9,11H2,1-3H3.
What are the key properties of 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1758.22 g/mol, XLogP of 9.41, 15 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161132437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).