1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol

C9H8F3N3OS — CID 113221283

IUPAC1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol
SMILESOC(CNc1ncnc2ccsc12)C(F)(F)F
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)6(16)3-13-8-7-5(1-2-17-7)14-4-15-8/h1-2,4,6,16H,3H2,(H,13,14,15)
InChIKeyGKILPDDJZODIBB-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.03
Rot. Bonds3

About 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol

1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol (PubChem CID 113221283) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol
PubChem CID113221283
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC Name1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol
SMILESOC(CNc1ncnc2ccsc12)C(F)(F)F
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)6(16)3-13-8-7-5(1-2-17-7)14-4-15-8/h1-2,4,6,16H,3H2,(H,13,14,15)
InChIKeyGKILPDDJZODIBB-UHFFFAOYSA-N
XLogP2.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol 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 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol (CID 113221283) is 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol is OC(CNc1ncnc2ccsc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
The InChIKey is GKILPDDJZODIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c10-9(11,12)6(16)3-13-8-7-5(1-2-17-7)14-4-15-8/h1-2,4,6,16H,3H2,(H,13,14,15).
What are the key properties of 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol has a molecular weight of 263.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol is sourced from PubChem (CID 113221283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).