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

C9H10F3N3S — CID 83190864

IUPAC2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(CCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)2-1-7-14-6-4-16-3-5(6)8(13)15-7/h1-4H2,(H2,13,14,15)
InChIKeyJRXXFMHNGGCCSK-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.30
Rot. Bonds2

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

2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190864) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190864
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC Name2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(CCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)2-1-7-14-6-4-16-3-5(6)8(13)15-7/h1-4H2,(H2,13,14,15)
InChIKeyJRXXFMHNGGCCSK-UHFFFAOYSA-N
XLogP2.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3,3-trifluoropropyl)-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-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190864) is 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(CCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is JRXXFMHNGGCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c10-9(11,12)2-1-7-14-6-4-16-3-5(6)8(13)15-7/h1-4H2,(H2,13,14,15).
What are the key properties of 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 249.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).