2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C8H4F3N3OS — CID 175890716

IUPAC2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2cnc(C(F)(F)F)nc2s1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)7-13-2-3-1-4(5(12)15)16-6(3)14-7/h1-2H,(H2,12,15)
InChIKeyYGHKMSOTJYRWPH-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.81
Rot. Bonds1

About 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175890716) has the molecular formula C8H4F3N3OS and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID175890716
Molecular FormulaC8H4F3N3OS
Molecular Weight247.20 g/mol
Exact Mass247.00
IUPAC Name2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2cnc(C(F)(F)F)nc2s1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)7-13-2-3-1-4(5(12)15)16-6(3)14-7/h1-2H,(H2,12,15)
InChIKeyYGHKMSOTJYRWPH-UHFFFAOYSA-N
XLogP1.81
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 175890716) is 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1cc2cnc(C(F)(F)F)nc2s1.
What is the InChIKey of 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YGHKMSOTJYRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS/c9-8(10,11)7-13-2-3-1-4(5(12)15)16-6(3)14-7/h1-2H,(H2,12,15).
What are the key properties of 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 247.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175890716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).