3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine

C15H12FN3O2S2 — CID 10427896

IUPAC3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine
SMILES[H]/N=c1/c(S(=O)(=O)c2ccc(F)cc2)c(SC)nc2ccccn12
InChIInChI=1S/C15H12FN3O2S2/c1-22-15-13(14(17)19-9-3-2-4-12(19)18-15)23(20,21)11-7-5-10(16)6-8-11/h2-9,17H,1H3/b17-14-
InChIKeyMBPRIPUBDRREIH-VKAVYKQESA-N
MW349.41 g/mol
LogP2.51
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine

3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine (PubChem CID 10427896) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine
PubChem CID10427896
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine
SMILES[H]/N=c1/c(S(=O)(=O)c2ccc(F)cc2)c(SC)nc2ccccn12
InChIInChI=1S/C15H12FN3O2S2/c1-22-15-13(14(17)19-9-3-2-4-12(19)18-15)23(20,21)11-7-5-10(16)6-8-11/h2-9,17H,1H3/b17-14-
InChIKeyMBPRIPUBDRREIH-VKAVYKQESA-N
XLogP2.51
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine 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 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine (CID 10427896) is 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine is [H]/N=c1/c(S(=O)(=O)c2ccc(F)cc2)c(SC)nc2ccccn12.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine?
The InChIKey is MBPRIPUBDRREIH-VKAVYKQESA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c1-22-15-13(14(17)19-9-3-2-4-12(19)18-15)23(20,21)11-7-5-10(16)6-8-11/h2-9,17H,1H3/b17-14-.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine?
3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine has a molecular weight of 349.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrido[1,2-a]pyrimidin-4-imine is sourced from PubChem (CID 10427896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).