5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H16FN5O2 — CID 2949834

IUPAC5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
InChIInChI=1S/C18H16FN5O2/c1-25-13-7-8-14(17(9-13)26-2)15-10-16(11-3-5-12(19)6-4-11)24-18(20-15)21-22-23-24/h3-10,16H,1-2H3,(H,20,21,23)
InChIKeyXKUQFQAXRXPUPZ-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.89
Rot. Bonds4

About 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2949834) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID2949834
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
InChIInChI=1S/C18H16FN5O2/c1-25-13-7-8-14(17(9-13)26-2)15-10-16(11-3-5-12(19)6-4-11)24-18(20-15)21-22-23-24/h3-10,16H,1-2H3,(H,20,21,23)
InChIKeyXKUQFQAXRXPUPZ-UHFFFAOYSA-N
XLogP2.89
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 2949834) is 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is XKUQFQAXRXPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-25-13-7-8-14(17(9-13)26-2)15-10-16(11-3-5-12(19)6-4-11)24-18(20-15)21-22-23-24/h3-10,16H,1-2H3,(H,20,21,23).
What are the key properties of 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 353.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2949834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).