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

C24H28N6O4 — CID 2792976

IUPAC7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1OC
InChIInChI=1S/C24H28N6O4/c1-5-6-13-34-19-12-11-16(14-20(19)33-4)22-21(15(2)25-24-27-28-29-30(22)24)23(31)26-17-9-7-8-10-18(17)32-3/h7-12,14,22H,5-6,13H2,1-4H3,(H,26,31)(H,25,27,29)
InChIKeyCSHHQVZJYCWYAX-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.80
Rot. Bonds9

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

7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2792976) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2792976
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1OC
InChIInChI=1S/C24H28N6O4/c1-5-6-13-34-19-12-11-16(14-20(19)33-4)22-21(15(2)25-24-27-28-29-30(22)24)23(31)26-17-9-7-8-10-18(17)32-3/h7-12,14,22H,5-6,13H2,1-4H3,(H,26,31)(H,25,27,29)
InChIKeyCSHHQVZJYCWYAX-UHFFFAOYSA-N
XLogP3.80
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2792976) is 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1OC.
What is the InChIKey of 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CSHHQVZJYCWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-5-6-13-34-19-12-11-16(14-20(19)33-4)22-21(15(2)25-24-27-28-29-30(22)24)23(31)26-17-9-7-8-10-18(17)32-3/h7-12,14,22H,5-6,13H2,1-4H3,(H,26,31)(H,25,27,29).
What are the key properties of 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-butoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2792976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).