N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine

C46H59ClF6N16O2S2 — CID 162136652

About N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 162136652) has the molecular formula C46H59ClF6N16O2S2 and a molecular weight of 1081.66 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
• PubChem CID: 162136652
• Molecular Formula: C46H59ClF6N16O2S2
• Molecular Weight: 1081.66 g/mol
• Exact Mass: 1080.40
• IUPAC Name: N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
• SMILES: CCN(CC)CCc1csc(N)n1.CCN(CC)CCc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C23H29F3N8OS.C14H13ClF3N5O.C9H17N3S/c1-3-33(4-2)6-5-15-14-36-22(29-15)32-20-12-18(30-21(31-20)34-7-9-35-10-8-34)16-13-28-19(27)11-17(16)23(24,25)26;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;1-3-12(4-2)6-5-8-7-13-9(10)11-8/h11-14H,3-10H2,1-2H3,(H2,27,28)(H,29,30,31,32);5-7H,1-4H2,(H2,19,20);7H,3-6H2,1-2H3,(H2,10,11)
• InChIKey: ZJJMBOXTNAKHLS-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 224.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.66
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?

The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine (CID 162136652) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine is CCN(CC)CCc1csc(N)n1.CCN(CC)CCc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1.

What is the InChIKey of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?

The InChIKey is ZJJMBOXTNAKHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N8OS.C14H13ClF3N5O.C9H17N3S/c1-3-33(4-2)6-5-15-14-36-22(29-15)32-20-12-18(30-21(31-20)34-7-9-35-10-8-34)16-13-28-19(27)11-17(16)23(24,25)26;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;1-3-12(4-2)6-5-8-7-13-9(10)11-8/h11-14H,3-10H2,1-2H3,(H2,27,28)(H,29,30,31,32);5-7H,1-4H2,(H2,19,20);7H,3-6H2,1-2H3,(H2,10,11).

What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 1081.66 g/mol, XLogP of 8.30, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162136652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).