2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C22H21F3N4O2 — CID 51364697

IUPAC2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H21F3N4O2/c1-13-7-14(2)9-18(8-13)28-21-26-15(3)10-20(31)29(21)12-19(30)27-17-6-4-5-16(11-17)22(23,24)25/h4-11H,12H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyFYQDELODMQRZBO-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.57
Rot. Bonds5

About 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 51364697) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID51364697
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H21F3N4O2/c1-13-7-14(2)9-18(8-13)28-21-26-15(3)10-20(31)29(21)12-19(30)27-17-6-4-5-16(11-17)22(23,24)25/h4-11H,12H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyFYQDELODMQRZBO-UHFFFAOYSA-N
XLogP4.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 51364697) is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FYQDELODMQRZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-13-7-14(2)9-18(8-13)28-21-26-15(3)10-20(31)29(21)12-19(30)27-17-6-4-5-16(11-17)22(23,24)25/h4-11H,12H2,1-3H3,(H,26,28)(H,27,30).
What are the key properties of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 430.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51364697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).