2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide

C15H15F3N4O3S — CID 52658925

IUPAC2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C15H15F3N4O3S/c1-8-11(13(24)19-6-10(23)20-7-15(16,17)18)14(26-2)22-12(21-8)9-4-3-5-25-9/h3-5H,6-7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyZZVYXDVCRNZDOQ-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.18
Rot. Bonds6

About 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide

2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide (PubChem CID 52658925) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide
PubChem CID52658925
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C15H15F3N4O3S/c1-8-11(13(24)19-6-10(23)20-7-15(16,17)18)14(26-2)22-12(21-8)9-4-3-5-25-9/h3-5H,6-7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyZZVYXDVCRNZDOQ-UHFFFAOYSA-N
XLogP2.18
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide 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-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide (CID 52658925) is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide?
The InChIKey is ZZVYXDVCRNZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c1-8-11(13(24)19-6-10(23)20-7-15(16,17)18)14(26-2)22-12(21-8)9-4-3-5-25-9/h3-5H,6-7H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide?
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 52658925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).