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

C26H32N6O3 — CID 135805293

IUPAC7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nnnn32)cc1OC
InChIInChI=1S/C26H32N6O3/c1-5-6-7-8-15-35-21-14-11-19(16-22(21)34-4)24-23(18(3)27-26-29-30-31-32(24)26)25(33)28-20-12-9-17(2)10-13-20/h9-14,16,24H,5-8,15H2,1-4H3,(H,28,33)(H,27,29,31)
InChIKeyQHYIUOSDLOAJNI-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.88
Rot. Bonds10

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

7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135805293) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135805293
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nnnn32)cc1OC
InChIInChI=1S/C26H32N6O3/c1-5-6-7-8-15-35-21-14-11-19(16-22(21)34-4)24-23(18(3)27-26-29-30-31-32(24)26)25(33)28-20-12-9-17(2)10-13-20/h9-14,16,24H,5-8,15H2,1-4H3,(H,28,33)(H,27,29,31)
InChIKeyQHYIUOSDLOAJNI-UHFFFAOYSA-N
XLogP4.88
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-(3,4-diethoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805284
N-(2,4-dimethylphenyl)-7-(3-methoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5093430
pentyl (7S)-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136842912
7-(5-bromo-2-butoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805339
7-(3-methoxy-4-propoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5093262
(7S)-7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1034053
7-(3-methoxy-4-pentoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838699
7-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838705
N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826712
(7R)-7-(4-ethoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181499
(7R)-7-(4-butoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135849038
7-(3-methoxy-4-propoxyphenyl)-5-methyl-N-(4-methylphenyl)-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135807647

Frequently Asked Questions

What is the IUPAC name of 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135805293) is 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nnnn32)cc1OC.
What is the InChIKey of 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QHYIUOSDLOAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-5-6-7-8-15-35-21-14-11-19(16-22(21)34-4)24-23(18(3)27-26-29-30-31-32(24)26)25(33)28-20-12-9-17(2)10-13-20/h9-14,16,24H,5-8,15H2,1-4H3,(H,28,33)(H,27,29,31).
What are the key properties of 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hexoxy-3-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135805293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).