7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C21H21BrN6O2 — CID 4277208

IUPAC7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(Br)cc1C1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2nnnn21
InChIInChI=1S/C21H21BrN6O2/c1-11-5-7-16(12(2)9-11)24-20(29)18-13(3)23-21-25-26-27-28(21)19(18)15-10-14(22)6-8-17(15)30-4/h5-10,19H,1-4H3,(H,24,29)(H,23,25,27)
InChIKeyARCXLMLHIFDYFC-UHFFFAOYSA-N
MW469.34 g/mol
LogP3.99
Rot. Bonds4

About 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4277208) has the molecular formula C21H21BrN6O2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4277208
Molecular FormulaC21H21BrN6O2
Molecular Weight469.34 g/mol
Exact Mass468.09
IUPAC Name7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(Br)cc1C1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2nnnn21
InChIInChI=1S/C21H21BrN6O2/c1-11-5-7-16(12(2)9-11)24-20(29)18-13(3)23-21-25-26-27-28(21)19(18)15-10-14(22)6-8-17(15)30-4/h5-10,19H,1-4H3,(H,24,29)(H,23,25,27)
InChIKeyARCXLMLHIFDYFC-UHFFFAOYSA-N
XLogP3.99
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 4277208) is 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(Br)cc1C1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2nnnn21.
What is the InChIKey of 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ARCXLMLHIFDYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6O2/c1-11-5-7-16(12(2)9-11)24-20(29)18-13(3)23-21-25-26-27-28(21)19(18)15-10-14(22)6-8-17(15)30-4/h5-10,19H,1-4H3,(H,24,29)(H,23,25,27).
What are the key properties of 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 469.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4277208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).