2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid

C14H8F3N3O2S — CID 151442239

IUPAC2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESNc1nc(-c2ccc(C(F)(F)F)cc2)c2cc(C(=O)O)sc2n1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)7-3-1-6(2-4-7)10-8-5-9(12(21)22)23-11(8)20-13(18)19-10/h1-5H,(H,21,22)(H2,18,19,20)
InChIKeyPETLYUFMJSVRAS-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.66
Rot. Bonds2

About 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid

2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 151442239) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID151442239
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC Name2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESNc1nc(-c2ccc(C(F)(F)F)cc2)c2cc(C(=O)O)sc2n1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)7-3-1-6(2-4-7)10-8-5-9(12(21)22)23-11(8)20-13(18)19-10/h1-5H,(H,21,22)(H2,18,19,20)
InChIKeyPETLYUFMJSVRAS-UHFFFAOYSA-N
XLogP3.66
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 151442239) is 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid is Nc1nc(-c2ccc(C(F)(F)F)cc2)c2cc(C(=O)O)sc2n1.
What is the InChIKey of 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is PETLYUFMJSVRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)7-3-1-6(2-4-7)10-8-5-9(12(21)22)23-11(8)20-13(18)19-10/h1-5H,(H,21,22)(H2,18,19,20).
What are the key properties of 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid?
2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 339.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 151442239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).