2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one

C88H93F15N36O3 — CID 159761111

About 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one

2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one (PubChem CID 159761111) has the molecular formula C88H93F15N36O3 and a molecular weight of 1987.93 g/mol. Its IUPAC name is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

• Compound Name: 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one
• PubChem CID: 159761111
• Molecular Formula: C88H93F15N36O3
• Molecular Weight: 1987.93 g/mol
• Exact Mass: 1986.80
• IUPAC Name: 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one
• SMILES: NCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1.NCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.NCCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.NCCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.O=C1CN(C2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)CCN1
• InChI: InChI=1S/C20H21F3N8O.C18H20F3N7.C17H18F3N7O.C17H18F3N7.C16H16F3N7O/c21-20(22,23)15-11-31-14(8-27-17(31)9-26-15)19-25-4-3-16(28-19)30-6-1-2-13(10-30)29-7-5-24-18(32)12-29;19-18(20,21)14-11-28-13(8-25-16(28)9-24-14)17-23-6-4-15(26-17)27-7-1-2-12(10-27)3-5-22;18-17(19,20)13-10-27-12(7-24-15(27)8-23-13)16-22-4-2-14(25-16)26-5-6-28-11(9-26)1-3-21;18-17(19,20)13-10-27-12(8-24-15(27)9-23-13)16-22-4-1-14(25-16)26-5-2-11(7-21)3-6-26;17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-2-1-13(24-15)25-3-4-27-10(5-20)8-25/h3-4,8-9,11,13H,1-2,5-7,10,12H2,(H,24,32);4,6,8-9,11-12H,1-3,5,7,10,22H2;2,4,7-8,10-11H,1,3,5-6,9,21H2;1,4,8-11H,2-3,5-7,21H2;1-2,6-7,9-10H,3-5,8,20H2
• InChIKey: NEWVSNIMCPIHAG-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 450.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1987.93
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one?

The IUPAC name of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one (CID 159761111) is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one.

What is the SMILES notation for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one?

The canonical SMILES for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one is NCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1.NCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.NCCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.NCCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.O=C1CN(C2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)CCN1.

What is the InChIKey of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one?

The InChIKey is NEWVSNIMCPIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N8O.C18H20F3N7.C17H18F3N7O.C17H18F3N7.C16H16F3N7O/c21-20(22,23)15-11-31-14(8-27-17(31)9-26-15)19-25-4-3-16(28-19)30-6-1-2-13(10-30)29-7-5-24-18(32)12-29;19-18(20,21)14-11-28-13(8-25-16(28)9-24-14)17-23-6-4-15(26-17)27-7-1-2-12(10-27)3-5-22;18-17(19,20)13-10-27-12(7-24-15(27)8-23-13)16-22-4-2-14(25-16)26-5-6-28-11(9-26)1-3-21;18-17(19,20)13-10-27-12(8-24-15(27)9-23-13)16-22-4-1-14(25-16)26-5-2-11(7-21)3-6-26;17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-2-1-13(24-15)25-3-4-27-10(5-20)8-25/h3-4,8-9,11,13H,1-2,5-7,10,12H2,(H,24,32);4,6,8-9,11-12H,1-3,5,7,10,22H2;2,4,7-8,10-11H,1,3,5-6,9,21H2;1,4,8-11H,2-3,5-7,21H2;1-2,6-7,9-10H,3-5,8,20H2.

What are the key properties of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one?

2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one has a molecular weight of 1987.93 g/mol, XLogP of 9.88, 17 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanamine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 159761111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).