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

C20H19BrN6O4 — CID 2792956

IUPAC7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C20H19BrN6O4/c1-10-16(19(29)23-13-6-4-5-7-14(13)30-2)17(27-20(22-10)24-25-26-27)11-8-12(21)18(28)15(9-11)31-3/h4-9,17,28H,1-3H3,(H,23,29)(H,22,24,26)
InChIKeyLFSRICPXEYATRX-UHFFFAOYSA-N
MW487.31 g/mol
LogP3.09
Rot. Bonds5

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

7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2792956) has the molecular formula C20H19BrN6O4 and a molecular weight of 487.31 g/mol. Its IUPAC name is 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2792956
Molecular FormulaC20H19BrN6O4
Molecular Weight487.31 g/mol
Exact Mass486.07
IUPAC Name7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C20H19BrN6O4/c1-10-16(19(29)23-13-6-4-5-7-14(13)30-2)17(27-20(22-10)24-25-26-27)11-8-12(21)18(28)15(9-11)31-3/h4-9,17,28H,1-3H3,(H,23,29)(H,22,24,26)
InChIKeyLFSRICPXEYATRX-UHFFFAOYSA-N
XLogP3.09
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.31
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

7-(5-bromo-2-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3243718
7-(3-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3237380
7-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135410505
[7-(4-hydroxy-3-methoxyphenyl)-5-methyl(4,7,8-trihydro-1,2,4-triazolo[1,5-a]py rimidin-6-yl)]-N-(2-methoxyphenyl)carboxamide
CID 135515092
7-(4-Butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 2792976
7-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2948184
7-(3-bromo-4-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792953
7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2791032
7-(4-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792946
7-(3,4-Dimethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 2792973
7-(4-Ethoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 2792974
N-(2-methoxyphenyl)[7-(3-methoxy-4-propoxyphenyl)-5-methyl(4,7,8-trihydro-1,2, 3,4-tetraazolo[1,5-a]pyrimidin-6-yl)]carboxamide
CID 2792975

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2792956) is 7-(3-bromo-4-hydroxy-5-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-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LFSRICPXEYATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O4/c1-10-16(19(29)23-13-6-4-5-7-14(13)30-2)17(27-20(22-10)24-25-26-27)11-8-12(21)18(28)15(9-11)31-3/h4-9,17,28H,1-3H3,(H,23,29)(H,22,24,26).
What are the key properties of 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 487.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2792956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).