2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide

C19H16FN3O2S2 — CID 10287545

IUPAC2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide
SMILESCSc1ccc(-n2c(-c3ccc(F)cc3)nc(SC)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C19H16FN3O2S2/c1-26-14-9-7-13(8-10-14)23-17(11-3-5-12(20)6-4-11)22-18(27-2)15(16(21)24)19(23)25/h3-10H,1-2H3,(H2,21,24)
InChIKeyYSZXTDLSNSLBQK-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.58
Rot. Bonds5

About 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide

2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide (PubChem CID 10287545) has the molecular formula C19H16FN3O2S2 and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide
PubChem CID10287545
Molecular FormulaC19H16FN3O2S2
Molecular Weight401.49 g/mol
Exact Mass401.07
IUPAC Name2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide
SMILESCSc1ccc(-n2c(-c3ccc(F)cc3)nc(SC)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C19H16FN3O2S2/c1-26-14-9-7-13(8-10-14)23-17(11-3-5-12(20)6-4-11)22-18(27-2)15(16(21)24)19(23)25/h3-10H,1-2H3,(H2,21,24)
InChIKeyYSZXTDLSNSLBQK-UHFFFAOYSA-N
XLogP3.58
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-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-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide (CID 10287545) is 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide is CSc1ccc(-n2c(-c3ccc(F)cc3)nc(SC)c(C(N)=O)c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide?
The InChIKey is YSZXTDLSNSLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S2/c1-26-14-9-7-13(8-10-14)23-17(11-3-5-12(20)6-4-11)22-18(27-2)15(16(21)24)19(23)25/h3-10H,1-2H3,(H2,21,24).
What are the key properties of 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide?
2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methylsulfanyl-1-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 10287545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).