2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C19H16FN3O2S2 — CID 16660077

IUPAC2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ccc(NC(=O)c2c(SC)nc(-c3ccc(F)cc3)[nH]c2=O)cc1
InChIInChI=1S/C19H16FN3O2S2/c1-26-14-9-7-13(8-10-14)21-17(24)15-18(25)22-16(23-19(15)27-2)11-3-5-12(20)6-4-11/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyOYTGFRCJDXBEDL-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 16660077) has the molecular formula C19H16FN3O2S2 and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID16660077
Molecular FormulaC19H16FN3O2S2
Molecular Weight401.49 g/mol
Exact Mass401.07
IUPAC Name2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ccc(NC(=O)c2c(SC)nc(-c3ccc(F)cc3)[nH]c2=O)cc1
InChIInChI=1S/C19H16FN3O2S2/c1-26-14-9-7-13(8-10-14)21-17(24)15-18(25)22-16(23-19(15)27-2)11-3-5-12(20)6-4-11/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyOYTGFRCJDXBEDL-UHFFFAOYSA-N
XLogP4.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-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-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 16660077) is 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is CSc1ccc(NC(=O)c2c(SC)nc(-c3ccc(F)cc3)[nH]c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OYTGFRCJDXBEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S2/c1-26-14-9-7-13(8-10-14)21-17(24)15-18(25)22-16(23-19(15)27-2)11-3-5-12(20)6-4-11/h3-10H,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methylsulfanyl-N-(4-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 16660077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).