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

C22H22F3N3O4 — CID 51368911

IUPAC2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)o1
InChIInChI=1S/C22H22F3N3O4/c1-13-3-8-17(32-13)11-26-19(30)12-28-20(27-14(2)18(9-10-29)21(28)31)15-4-6-16(7-5-15)22(23,24)25/h3-8,29H,9-12H2,1-2H3,(H,26,30)
InChIKeyOOZBEOIDOMNSMU-UHFFFAOYSA-N
MW449.43 g/mol
LogP2.99
Rot. Bonds7

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

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 51368911) has the molecular formula C22H22F3N3O4 and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID51368911
Molecular FormulaC22H22F3N3O4
Molecular Weight449.43 g/mol
Exact Mass449.16
IUPAC Name2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)o1
InChIInChI=1S/C22H22F3N3O4/c1-13-3-8-17(32-13)11-26-19(30)12-28-20(27-14(2)18(9-10-29)21(28)31)15-4-6-16(7-5-15)22(23,24)25/h3-8,29H,9-12H2,1-2H3,(H,26,30)
InChIKeyOOZBEOIDOMNSMU-UHFFFAOYSA-N
XLogP2.99
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide 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-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 51368911) is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)o1.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is OOZBEOIDOMNSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O4/c1-13-3-8-17(32-13)11-26-19(30)12-28-20(27-14(2)18(9-10-29)21(28)31)15-4-6-16(7-5-15)22(23,24)25/h3-8,29H,9-12H2,1-2H3,(H,26,30).
What are the key properties of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 449.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 51368911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).