2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide

C19H22F3N3O3 — CID 51368875

About 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 51368875) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
• PubChem CID: 51368875
• Molecular Formula: C19H22F3N3O3
• Molecular Weight: 397.40 g/mol
• Exact Mass: 397.16
• IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NC(C)C)c(=O)c1CCO
• InChI: InChI=1S/C19H22F3N3O3/c1-11(2)23-16(27)10-25-17(24-12(3)15(8-9-26)18(25)28)13-4-6-14(7-5-13)19(20,21)22/h4-7,11,26H,8-10H2,1-3H3,(H,23,27)
• InChIKey: KUSCXGOUFAJTJU-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.40
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide (CID 51368875) is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NC(C)C)c(=O)c1CCO.

What is the InChIKey of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide?

The InChIKey is KUSCXGOUFAJTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-11(2)23-16(27)10-25-17(24-12(3)15(8-9-26)18(25)28)13-4-6-14(7-5-13)19(20,21)22/h4-7,11,26H,8-10H2,1-3H3,(H,23,27).

What are the key properties of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide?

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 397.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 51368875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).