2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine

C18H20F3N7 — CID 139358057

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

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine (PubChem CID 139358057) has the molecular formula C18H20F3N7 and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine.

Molecular Properties

• Compound Name: 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine
• PubChem CID: 139358057
• Molecular Formula: C18H20F3N7
• Molecular Weight: 391.40 g/mol
• Exact Mass: 391.17
• IUPAC Name: 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine
• SMILES: NCCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C18H20F3N7/c19-18(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/h4,6,8-9,11-12H,1-3,5,7,10,22H2
• InChIKey: XFYVKPSDLDALQY-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 85.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.40
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine (CID 139358057) is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine.

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

The canonical SMILES for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine is NCCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

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

The InChIKey is XFYVKPSDLDALQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7/c19-18(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/h4,6,8-9,11-12H,1-3,5,7,10,22H2.

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

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine has a molecular weight of 391.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 139358057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).