7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C20H19BrN6O3 — CID 2792953

IUPAC7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1Br
InChIInChI=1S/C20H19BrN6O3/c1-11-17(19(28)23-14-6-4-5-7-16(14)30-3)18(27-20(22-11)24-25-26-27)12-8-9-15(29-2)13(21)10-12/h4-10,18H,1-3H3,(H,23,28)(H,22,24,26)
InChIKeyFRXPISPFTTWRQQ-UHFFFAOYSA-N
MW471.32 g/mol
LogP3.38
Rot. Bonds5

About 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2792953) has the molecular formula C20H19BrN6O3 and a molecular weight of 471.32 g/mol. Its IUPAC name is 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2792953
Molecular FormulaC20H19BrN6O3
Molecular Weight471.32 g/mol
Exact Mass470.07
IUPAC Name7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1Br
InChIInChI=1S/C20H19BrN6O3/c1-11-17(19(28)23-14-6-4-5-7-16(14)30-3)18(27-20(22-11)24-25-26-27)12-8-9-15(29-2)13(21)10-12/h4-10,18H,1-3H3,(H,23,28)(H,22,24,26)
InChIKeyFRXPISPFTTWRQQ-UHFFFAOYSA-N
XLogP3.38
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2792953) is 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1Br.
What is the InChIKey of 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FRXPISPFTTWRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O3/c1-11-17(19(28)23-14-6-4-5-7-16(14)30-3)18(27-20(22-11)24-25-26-27)12-8-9-15(29-2)13(21)10-12/h4-10,18H,1-3H3,(H,23,28)(H,22,24,26).
What are the key properties of 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 471.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2792953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).