2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C12H9F3N4S2 — CID 162653875

IUPAC2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccsc2)nc2ccsc12
InChIInChI=1S/C12H9F3N4S2/c13-12(14,15)6-16-10-9-8(2-4-21-9)18-11(19-10)17-7-1-3-20-5-7/h1-5H,6H2,(H2,16,17,18,19)
InChIKeyXFTXEGIZGWULDL-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.47
Rot. Bonds4

About 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 162653875) has the molecular formula C12H9F3N4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID162653875
Molecular FormulaC12H9F3N4S2
Molecular Weight330.36 g/mol
Exact Mass330.02
IUPAC Name2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccsc2)nc2ccsc12
InChIInChI=1S/C12H9F3N4S2/c13-12(14,15)6-16-10-9-8(2-4-21-9)18-11(19-10)17-7-1-3-20-5-7/h1-5H,6H2,(H2,16,17,18,19)
InChIKeyXFTXEGIZGWULDL-UHFFFAOYSA-N
XLogP4.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 162653875) is 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine is FC(F)(F)CNc1nc(Nc2ccsc2)nc2ccsc12.
What is the InChIKey of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is XFTXEGIZGWULDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4S2/c13-12(14,15)6-16-10-9-8(2-4-21-9)18-11(19-10)17-7-1-3-20-5-7/h1-5H,6H2,(H2,16,17,18,19).
What are the key properties of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 330.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 162653875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).