7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H16FN5O2 — CID 3155612

IUPAC7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C18H16FN5O2/c1-25-16-8-5-12(9-17(16)26-2)15-10-14(11-3-6-13(19)7-4-11)20-18-21-22-23-24(15)18/h3-10,15H,1-2H3,(H,20,21,23)
InChIKeyYAIIOMSLLCFVNS-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.89
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3155612) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3155612
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C18H16FN5O2/c1-25-16-8-5-12(9-17(16)26-2)15-10-14(11-3-6-13(19)7-4-11)20-18-21-22-23-24(15)18/h3-10,15H,1-2H3,(H,20,21,23)
InChIKeyYAIIOMSLLCFVNS-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 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3155612) is 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is YAIIOMSLLCFVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-25-16-8-5-12(9-17(16)26-2)15-10-14(11-3-6-13(19)7-4-11)20-18-21-22-23-24(15)18/h3-10,15H,1-2H3,(H,20,21,23).
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-5-(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 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3155612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).