2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

C10H8F3N3O2S — CID 79258648

IUPAC2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1ncnc2sccc12
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)4-16(3-7(17)18)8-6-1-2-19-9(6)15-5-14-8/h1-2,5H,3-4H2,(H,17,18)
InChIKeyUXRIHZDSCFCNDT-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.14
Rot. Bonds4

About 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258648) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258648
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1ncnc2sccc12
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)4-16(3-7(17)18)8-6-1-2-19-9(6)15-5-14-8/h1-2,5H,3-4H2,(H,17,18)
InChIKeyUXRIHZDSCFCNDT-UHFFFAOYSA-N
XLogP2.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258648) is 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)c1ncnc2sccc12.
What is the InChIKey of 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UXRIHZDSCFCNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)4-16(3-7(17)18)8-6-1-2-19-9(6)15-5-14-8/h1-2,5H,3-4H2,(H,17,18).
What are the key properties of 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 291.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[thieno[2,3-d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).