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

C19H22F3N3O3 — CID 51368875

IUPAC2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NC(C)C)c(=O)c1CCO
InChIInChI=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)
InChIKeyKUSCXGOUFAJTJU-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.30
Rot. Bonds6

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 Name2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
PubChem CID51368875
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NC(C)C)c(=O)c1CCO
InChIInChI=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)
InChIKeyKUSCXGOUFAJTJU-UHFFFAOYSA-N
XLogP2.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).