5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C7H4F3N3S — CID 91389910

IUPAC5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2scc(C(F)(F)F)c12
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)3-1-14-6-4(3)5(11)12-2-13-6/h1-2H,(H2,11,12,13)
InChIKeyTVHBVVMZVZYXGR-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.29
Rot. Bonds

About 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91389910) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91389910
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2scc(C(F)(F)F)c12
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)3-1-14-6-4(3)5(11)12-2-13-6/h1-2H,(H2,11,12,13)
InChIKeyTVHBVVMZVZYXGR-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 91389910) is 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1ncnc2scc(C(F)(F)F)c12.
What is the InChIKey of 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TVHBVVMZVZYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)3-1-14-6-4(3)5(11)12-2-13-6/h1-2H,(H2,11,12,13).
What are the key properties of 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 219.19 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91389910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).