6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine

C54H67ClF6N16O4 — CID 159764390

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine
SMILESCC(C)N1CCC(Oc2ccc(N)cn2)CC1.CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C27H33F3N8O2.C14H13ClF3N5O.C13H21N3O/c1-17(2)37-7-5-19(6-8-37)40-25-4-3-18(15-33-25)34-24-14-22(35-26(36-24)38-9-11-39-12-10-38)20-16-32-23(31)13-21(20)27(28,29)30;15-11-6-10(21-13(22-11)23-1-3-24-4-2-23)8-7-20-12(19)5-9(8)14(16,17)18;1-10(2)16-7-5-12(6-8-16)17-13-4-3-11(14)9-15-13/h3-4,13-17,19H,5-12H2,1-2H3,(H2,31,32)(H,34,35,36);5-7H,1-4H2,(H2,19,20);3-4,9-10,12H,5-8,14H2,1-2H3
InChIKeyNFHQUZRZDGQZLY-UHFFFAOYSA-N
MW1153.68 g/mol
LogP8.91
Rot. Bonds12

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine (PubChem CID 159764390) has the molecular formula C54H67ClF6N16O4 and a molecular weight of 1153.68 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine
PubChem CID159764390
Molecular FormulaC54H67ClF6N16O4
Molecular Weight1153.68 g/mol
Exact Mass1152.51
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine
SMILESCC(C)N1CCC(Oc2ccc(N)cn2)CC1.CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C27H33F3N8O2.C14H13ClF3N5O.C13H21N3O/c1-17(2)37-7-5-19(6-8-37)40-25-4-3-18(15-33-25)34-24-14-22(35-26(36-24)38-9-11-39-12-10-38)20-16-32-23(31)13-21(20)27(28,29)30;15-11-6-10(21-13(22-11)23-1-3-24-4-2-23)8-7-20-12(19)5-9(8)14(16,17)18;1-10(2)16-7-5-12(6-8-16)17-13-4-3-11(14)9-15-13/h3-4,13-17,19H,5-12H2,1-2H3,(H2,31,32)(H,34,35,36);5-7H,1-4H2,(H2,19,20);3-4,9-10,12H,5-8,14H2,1-2H3
InChIKeyNFHQUZRZDGQZLY-UHFFFAOYSA-N
XLogP8.91
TPSA243.09 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.68
LogP ≤ 58.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-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-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
(1S)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-2,2,2-trifluoroethanol;(1R)-1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-2,2,2-trifluoroethanol
CID 86766422
US20240025922, Example 106
CID 170324549
US20240025922, Example 105
CID 170324643
US20240025922, Example 103
CID 170324685
US20240025922, Example 36
CID 170324318
US20240025922, Example 43
CID 170324501
US20240025922, Example 101
CID 170324555
US20240025922, Example 77
CID 170324616
US20240025922, Example 28
CID 170324626

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine (CID 159764390) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine is CC(C)N1CCC(Oc2ccc(N)cn2)CC1.CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine?
The InChIKey is NFHQUZRZDGQZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N8O2.C14H13ClF3N5O.C13H21N3O/c1-17(2)37-7-5-19(6-8-37)40-25-4-3-18(15-33-25)34-24-14-22(35-26(36-24)38-9-11-39-12-10-38)20-16-32-23(31)13-21(20)27(28,29)30;15-11-6-10(21-13(22-11)23-1-3-24-4-2-23)8-7-20-12(19)5-9(8)14(16,17)18;1-10(2)16-7-5-12(6-8-16)17-13-4-3-11(14)9-15-13/h3-4,13-17,19H,5-12H2,1-2H3,(H2,31,32)(H,34,35,36);5-7H,1-4H2,(H2,19,20);3-4,9-10,12H,5-8,14H2,1-2H3.
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine has a molecular weight of 1153.68 g/mol, XLogP of 8.91, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine is sourced from PubChem (CID 159764390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).