2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H10F3N3S2 — CID 83193657

IUPAC2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(SC(F)(F)F)cc2)nc2c1CSC2
InChIInChI=1S/C13H10F3N3S2/c14-13(15,16)21-8-3-1-7(2-4-8)12-18-10-6-20-5-9(10)11(17)19-12/h1-4H,5-6H2,(H2,17,18,19)
InChIKeyOMIMOWDCFFSWMD-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.08
Rot. Bonds2

About 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193657) has the molecular formula C13H10F3N3S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193657
Molecular FormulaC13H10F3N3S2
Molecular Weight329.37 g/mol
Exact Mass329.03
IUPAC Name2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(SC(F)(F)F)cc2)nc2c1CSC2
InChIInChI=1S/C13H10F3N3S2/c14-13(15,16)21-8-3-1-7(2-4-8)12-18-10-6-20-5-9(10)11(17)19-12/h1-4H,5-6H2,(H2,17,18,19)
InChIKeyOMIMOWDCFFSWMD-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-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 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193657) is 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccc(SC(F)(F)F)cc2)nc2c1CSC2.
What is the InChIKey of 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is OMIMOWDCFFSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S2/c14-13(15,16)21-8-3-1-7(2-4-8)12-18-10-6-20-5-9(10)11(17)19-12/h1-4H,5-6H2,(H2,17,18,19).
What are the key properties of 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 329.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).