7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine

C11H6F3N3S — CID 135380126

IUPAC7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESFC(F)(F)c1sccc1-c1c[nH]c2cncnc12
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)10-6(1-2-18-10)7-3-16-8-4-15-5-17-9(7)8/h1-5,16H
InChIKeyFLKSBSGAOUUDSC-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.71
Rot. Bonds1

About 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine

7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 135380126) has the molecular formula C11H6F3N3S and a molecular weight of 269.25 g/mol. Its IUPAC name is 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID135380126
Molecular FormulaC11H6F3N3S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESFC(F)(F)c1sccc1-c1c[nH]c2cncnc12
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)10-6(1-2-18-10)7-3-16-8-4-15-5-17-9(7)8/h1-5,16H
InChIKeyFLKSBSGAOUUDSC-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine (CID 135380126) is 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine is FC(F)(F)c1sccc1-c1c[nH]c2cncnc12.
What is the InChIKey of 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is FLKSBSGAOUUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3S/c12-11(13,14)10-6(1-2-18-10)7-3-16-8-4-15-5-17-9(7)8/h1-5,16H.
What are the key properties of 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine?
7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 269.25 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 135380126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).