6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine

C15H11F4N5S — CID 58016703

IUPAC6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine
SMILESCSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C15H11F4N5S/c1-25-14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,20,21,23,24)
InChIKeyKPJJKVAIECOPJZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.92
Rot. Bonds4

About 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine

6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine (PubChem CID 58016703) has the molecular formula C15H11F4N5S and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine
PubChem CID58016703
Molecular FormulaC15H11F4N5S
Molecular Weight369.35 g/mol
Exact Mass369.07
IUPAC Name6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine
SMILESCSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C15H11F4N5S/c1-25-14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,20,21,23,24)
InChIKeyKPJJKVAIECOPJZ-UHFFFAOYSA-N
XLogP3.92
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine 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 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine (CID 58016703) is 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine is CSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)cc3)cnc2n1.
What is the InChIKey of 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine?
The InChIKey is KPJJKVAIECOPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5S/c1-25-14-23-12-11(13(24-14)21-7-15(17,18)19)22-10(6-20-12)8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,20,21,23,24).
What are the key properties of 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine?
6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine has a molecular weight of 369.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine is sourced from PubChem (CID 58016703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).