2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C11H8F3N5S — CID 62195418

IUPAC2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cn2ccc(C(F)(F)F)n2)nc2sccc12
InChIInChI=1S/C11H8F3N5S/c12-11(13,14)7-1-3-19(18-7)5-8-16-9(15)6-2-4-20-10(6)17-8/h1-4H,5H2,(H2,15,16,17)
InChIKeyKGDSPRHBHJRPEQ-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.54
Rot. Bonds2

About 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62195418) has the molecular formula C11H8F3N5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62195418
Molecular FormulaC11H8F3N5S
Molecular Weight299.28 g/mol
Exact Mass299.05
IUPAC Name2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cn2ccc(C(F)(F)F)n2)nc2sccc12
InChIInChI=1S/C11H8F3N5S/c12-11(13,14)7-1-3-19(18-7)5-8-16-9(15)6-2-4-20-10(6)17-8/h1-4H,5H2,(H2,15,16,17)
InChIKeyKGDSPRHBHJRPEQ-UHFFFAOYSA-N
XLogP2.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-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-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62195418) is 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(Cn2ccc(C(F)(F)F)n2)nc2sccc12.
What is the InChIKey of 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KGDSPRHBHJRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5S/c12-11(13,14)7-1-3-19(18-7)5-8-16-9(15)6-2-4-20-10(6)17-8/h1-4H,5H2,(H2,15,16,17).
What are the key properties of 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62195418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).