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

C44H55ClF6N16O2S2 — CID 162071504

IUPACN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine
SMILESCCN(CC)Cc1cnc(N)s1.CCN(CC)Cc1cnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H27F3N8OS.C14H13ClF3N5O.C8H15N3S/c1-3-32(4-2)13-14-11-28-21(35-14)31-19-10-17(29-20(30-19)33-5-7-34-8-6-33)15-12-27-18(26)9-16(15)22(23,24)25;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;1-3-11(4-2)6-7-5-10-8(9)12-7/h9-12H,3-8,13H2,1-2H3,(H2,26,27)(H,28,29,30,31);5-7H,1-4H2,(H2,19,20);5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyZBDMBLODBVZJDG-UHFFFAOYSA-N
MW1053.61 g/mol
LogP8.21
Rot. Bonds14

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

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 162071504) has the molecular formula C44H55ClF6N16O2S2 and a molecular weight of 1053.61 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine
PubChem CID162071504
Molecular FormulaC44H55ClF6N16O2S2
Molecular Weight1053.61 g/mol
Exact Mass1052.37
IUPAC NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine
SMILESCCN(CC)Cc1cnc(N)s1.CCN(CC)Cc1cnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H27F3N8OS.C14H13ClF3N5O.C8H15N3S/c1-3-32(4-2)13-14-11-28-21(35-14)31-19-10-17(29-20(30-19)33-5-7-34-8-6-33)15-12-27-18(26)9-16(15)22(23,24)25;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;1-3-11(4-2)6-7-5-10-8(9)12-7/h9-12H,3-8,13H2,1-2H3,(H2,26,27)(H,28,29,30,31);5-7H,1-4H2,(H2,19,20);5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyZBDMBLODBVZJDG-UHFFFAOYSA-N
XLogP8.21
TPSA224.63 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.61
LogP ≤ 58.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine (CID 162071504) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-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]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine is CCN(CC)Cc1cnc(N)s1.CCN(CC)Cc1cnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.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]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is ZBDMBLODBVZJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N8OS.C14H13ClF3N5O.C8H15N3S/c1-3-32(4-2)13-14-11-28-21(35-14)31-19-10-17(29-20(30-19)33-5-7-34-8-6-33)15-12-27-18(26)9-16(15)22(23,24)25;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;1-3-11(4-2)6-7-5-10-8(9)12-7/h9-12H,3-8,13H2,1-2H3,(H2,26,27)(H,28,29,30,31);5-7H,1-4H2,(H2,19,20);5H,3-4,6H2,1-2H3,(H2,9,10).
What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine?
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 1053.61 g/mol, XLogP of 8.21, 14 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]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162071504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).