4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine

C22H15FN6S — CID 1046859

IUPAC4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine
SMILESCc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2-c2ccccc2F)cc1
InChIInChI=1S/C22H15FN6S/c1-14-8-10-15(11-9-14)29-22(26-27-28-29)17-13-24-21(19-7-4-12-30-19)25-20(17)16-5-2-3-6-18(16)23/h2-13H,1H3
InChIKeyWDGLRZZSLSCFDQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.96
Rot. Bonds4

About 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine

4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine (PubChem CID 1046859) has the molecular formula C22H15FN6S and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine
PubChem CID1046859
Molecular FormulaC22H15FN6S
Molecular Weight414.47 g/mol
Exact Mass414.11
IUPAC Name4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine
SMILESCc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2-c2ccccc2F)cc1
InChIInChI=1S/C22H15FN6S/c1-14-8-10-15(11-9-14)29-22(26-27-28-29)17-13-24-21(19-7-4-12-30-19)25-20(17)16-5-2-3-6-18(16)23/h2-13H,1H3
InChIKeyWDGLRZZSLSCFDQ-UHFFFAOYSA-N
XLogP4.96
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine?
The IUPAC name of 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine (CID 1046859) is 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine is Cc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2-c2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine?
The InChIKey is WDGLRZZSLSCFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6S/c1-14-8-10-15(11-9-14)29-22(26-27-28-29)17-13-24-21(19-7-4-12-30-19)25-20(17)16-5-2-3-6-18(16)23/h2-13H,1H3.
What are the key properties of 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine?
4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine has a molecular weight of 414.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 1046859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).