1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)

C99H117F15N30O13 — CID 160810779

IUPAC1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)
SMILESCC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)N1CC[C@H](Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H25F3N6O3.2C20H23F3N6O3.2C19H23F3N6O2/c1-13(31)29-4-2-14(3-5-29)33-19-11-17(27-20(28-19)30-6-8-32-9-7-30)15-12-26-18(25)10-16(15)21(22,23)24;2*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;2*20-19(21,22)14-8-16(23)25-11-13(14)15-9-17(30-12-2-1-3-24-10-12)27-18(26-15)28-4-6-29-7-5-28/h10-12,14H,2-9H2,1H3,(H2,25,26);2*8-10,13H,2-7,11H2,1H3,(H2,24,25);2*8-9,11-12,24H,1-7,10H2,(H2,23,25)/t;13-;;;/m.0.../s1
InChIKeySEHDCMUNPFZLDW-OWUDSZESSA-N
MW2220.19 g/mol
LogP10.53
Rot. Bonds20

About 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)

1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine) (PubChem CID 160810779) has the molecular formula C99H117F15N30O13 and a molecular weight of 2220.19 g/mol. Its IUPAC name is 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine).

Molecular Properties

Compound Name1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)
PubChem CID160810779
Molecular FormulaC99H117F15N30O13
Molecular Weight2220.19 g/mol
Exact Mass2218.92
IUPAC Name1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)
SMILESCC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)N1CC[C@H](Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H25F3N6O3.2C20H23F3N6O3.2C19H23F3N6O2/c1-13(31)29-4-2-14(3-5-29)33-19-11-17(27-20(28-19)30-6-8-32-9-7-30)15-12-26-18(25)10-16(15)21(22,23)24;2*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;2*20-19(21,22)14-8-16(23)25-11-13(14)15-9-17(30-12-2-1-3-24-10-12)27-18(26-15)28-4-6-29-7-5-28/h10-12,14H,2-9H2,1H3,(H2,25,26);2*8-10,13H,2-7,11H2,1H3,(H2,24,25);2*8-9,11-12,24H,1-7,10H2,(H2,23,25)/t;13-;;;/m.0.../s1
InChIKeySEHDCMUNPFZLDW-OWUDSZESSA-N
XLogP10.53
TPSA516.94 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.19
LogP ≤ 510.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-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

Related Compounds

5-[2-Morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 23630333
Tert-butyl 4-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507460
[4-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone
CID 59507476
1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 59507523
1-[4-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 59507524
tert-butyl (3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 59507531
5-(2-Morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507535
1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 59507538
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 59507539
[(3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]-phenylmethanone
CID 59507566
Tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507569
1-[(3R)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 59507573

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)?
The IUPAC name of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine) (CID 160810779) is 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine).
What is the SMILES notation for 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)?
The canonical SMILES for 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-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(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)N1CC[C@H](Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)?
The InChIKey is SEHDCMUNPFZLDW-OWUDSZESSA-N. The full InChI is InChI=1S/C21H25F3N6O3.2C20H23F3N6O3.2C19H23F3N6O2/c1-13(31)29-4-2-14(3-5-29)33-19-11-17(27-20(28-19)30-6-8-32-9-7-30)15-12-26-18(25)10-16(15)21(22,23)24;2*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;2*20-19(21,22)14-8-16(23)25-11-13(14)15-9-17(30-12-2-1-3-24-10-12)27-18(26-15)28-4-6-29-7-5-28/h10-12,14H,2-9H2,1H3,(H2,25,26);2*8-10,13H,2-7,11H2,1H3,(H2,24,25);2*8-9,11-12,24H,1-7,10H2,(H2,23,25)/t;13-;;;/m.0.../s1.
What are the key properties of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine)?
1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine) has a molecular weight of 2220.19 g/mol, XLogP of 10.53, 20 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;bis(5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine) is sourced from PubChem (CID 160810779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).