7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H15ClFN5O2 — CID 2950297

IUPAC7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3c(F)cccc3Cl)n3nnnc3N2)c(OC)c1
InChIInChI=1S/C18H15ClFN5O2/c1-26-10-6-7-11(16(8-10)27-2)14-9-15(25-18(21-14)22-23-24-25)17-12(19)4-3-5-13(17)20/h3-9,15H,1-2H3,(H,21,22,24)
InChIKeyRLRQVEDAOSIKGG-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.54
Rot. Bonds4

About 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2950297) has the molecular formula C18H15ClFN5O2 and a molecular weight of 387.80 g/mol. Its IUPAC name is 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID2950297
Molecular FormulaC18H15ClFN5O2
Molecular Weight387.80 g/mol
Exact Mass387.09
IUPAC Name7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3c(F)cccc3Cl)n3nnnc3N2)c(OC)c1
InChIInChI=1S/C18H15ClFN5O2/c1-26-10-6-7-11(16(8-10)27-2)14-9-15(25-18(21-14)22-23-24-25)17-12(19)4-3-5-13(17)20/h3-9,15H,1-2H3,(H,21,22,24)
InChIKeyRLRQVEDAOSIKGG-UHFFFAOYSA-N
XLogP3.54
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 2950297) is 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3c(F)cccc3Cl)n3nnnc3N2)c(OC)c1.
What is the InChIKey of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is RLRQVEDAOSIKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O2/c1-26-10-6-7-11(16(8-10)27-2)14-9-15(25-18(21-14)22-23-24-25)17-12(19)4-3-5-13(17)20/h3-9,15H,1-2H3,(H,21,22,24).
What are the key properties of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 387.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2950297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).