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

C61H81ClF6N16O10 — CID 158422751

IUPACtert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCCC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H31F3N6O4.C19H23F3N6O2.C18H27ClN4O4/c1-23(2,3)37-22(34)33-6-4-5-15(14-33)36-20-12-18(30-21(31-20)32-7-9-35-10-8-32)16-13-29-19(28)11-17(16)24(25,26)27;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;1-18(2,3)27-17(24)23-6-4-5-13(12-23)26-15-11-14(19)20-16(21-15)22-7-9-25-10-8-22/h11-13,15H,4-10,14H2,1-3H3,(H2,28,29);8-9,11-12,24H,1-7,10H2,(H2,23,25);11,13H,4-10,12H2,1-3H3
InChIKeyHARKXRSSTUXJGO-UHFFFAOYSA-N
MW1347.86 g/mol
LogP8.61
Rot. Bonds11

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

tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158422751) has the molecular formula C61H81ClF6N16O10 and a molecular weight of 1347.86 g/mol. Its IUPAC name is tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Nametert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID158422751
Molecular FormulaC61H81ClF6N16O10
Molecular Weight1347.86 g/mol
Exact Mass1346.59
IUPAC Nametert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCCC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H31F3N6O4.C19H23F3N6O2.C18H27ClN4O4/c1-23(2,3)37-22(34)33-6-4-5-15(14-33)36-20-12-18(30-21(31-20)32-7-9-35-10-8-32)16-13-29-19(28)11-17(16)24(25,26)27;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;1-18(2,3)27-17(24)23-6-4-5-13(12-23)26-15-11-14(19)20-16(21-15)22-7-9-25-10-8-22/h11-13,15H,4-10,14H2,1-3H3,(H2,28,29);8-9,11-12,24H,1-7,10H2,(H2,23,25);11,13H,4-10,12H2,1-3H3
InChIKeyHARKXRSSTUXJGO-UHFFFAOYSA-N
XLogP8.61
TPSA291.37 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.86
LogP ≤ 58.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-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-(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
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
Tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507569
Methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507581
1-[(3R)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 59507595
methyl (3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507620
1-[4-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 59507633
tert-butyl (3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507651

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 158422751) is tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)(C)OC(=O)N1CCCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C1.CC(C)(C)OC(=O)N1CCCC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCCNC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HARKXRSSTUXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O4.C19H23F3N6O2.C18H27ClN4O4/c1-23(2,3)37-22(34)33-6-4-5-15(14-33)36-20-12-18(30-21(31-20)32-7-9-35-10-8-32)16-13-29-19(28)11-17(16)24(25,26)27;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;1-18(2,3)27-17(24)23-6-4-5-13(12-23)26-15-11-14(19)20-16(21-15)22-7-9-25-10-8-22/h11-13,15H,4-10,14H2,1-3H3,(H2,28,29);8-9,11-12,24H,1-7,10H2,(H2,23,25);11,13H,4-10,12H2,1-3H3.
What are the key properties of tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1347.86 g/mol, XLogP of 8.61, 11 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate;5-(2-morpholin-4-yl-6-piperidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158422751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).