cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

C19H25F3N4O4 — CID 155839853

About cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155839853) has the molecular formula C19H25F3N4O4 and a molecular weight of 430.43 g/mol. Its IUPAC name is cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155839853
• Molecular Formula: C19H25F3N4O4
• Molecular Weight: 430.43 g/mol
• Exact Mass: 430.18
• IUPAC Name: cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: CCN(C)c1ccnc(C2COCCN2C(=O)C2=CCCC2)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H24N4O2.C2HF3O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13;3-2(4,5)1(6)7/h6,8-9,14H,3-5,7,10-12H2,1-2H3;(H,6,7)
• InChIKey: CFQQVLIOBMYWSR-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 95.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.43
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (CID 155839853) is cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is CCN(C)c1ccnc(C2COCCN2C(=O)C2=CCCC2)n1.O=C(O)C(F)(F)F.

What is the InChIKey of cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is CFQQVLIOBMYWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C2HF3O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13;3-2(4,5)1(6)7/h6,8-9,14H,3-5,7,10-12H2,1-2H3;(H,6,7).

What are the key properties of cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?

cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 430.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).