2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C11H7F3N6S — CID 122174723

IUPAC2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1nnnn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6S/c1-6-17-18-19-20(6)10-15-7(8-3-2-4-21-8)5-9(16-10)11(12,13)14/h2-5H,1H3
InChIKeyGHWWIFFOMWYBES-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.51
Rot. Bonds2

About 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 122174723) has the molecular formula C11H7F3N6S and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID122174723
Molecular FormulaC11H7F3N6S
Molecular Weight312.28 g/mol
Exact Mass312.04
IUPAC Name2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1nnnn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6S/c1-6-17-18-19-20(6)10-15-7(8-3-2-4-21-8)5-9(16-10)11(12,13)14/h2-5H,1H3
InChIKeyGHWWIFFOMWYBES-UHFFFAOYSA-N
XLogP2.51
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 122174723) is 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is Cc1nnnn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is GHWWIFFOMWYBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6S/c1-6-17-18-19-20(6)10-15-7(8-3-2-4-21-8)5-9(16-10)11(12,13)14/h2-5H,1H3.
What are the key properties of 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 312.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122174723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).