5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C27H26N6O2 — CID 135805304

About 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135805304) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135805304
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(OCc3ccccc3C)cc2)n2nnnc2N1
• InChI: InChI=1S/C27H26N6O2/c1-17-8-12-22(13-9-17)29-26(34)24-19(3)28-27-30-31-32-33(27)25(24)20-10-14-23(15-11-20)35-16-21-7-5-4-6-18(21)2/h4-15,25H,16H2,1-3H3,(H,29,34)(H,28,30,32)
• InChIKey: BOUXCTDWFZNAAY-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135805304) is 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(OCc3ccccc3C)cc2)n2nnnc2N1.

What is the InChIKey of 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is BOUXCTDWFZNAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-17-8-12-22(13-9-17)29-26(34)24-19(3)28-27-30-31-32-33(27)25(24)20-10-14-23(15-11-20)35-16-21-7-5-4-6-18(21)2/h4-15,25H,16H2,1-3H3,(H,29,34)(H,28,30,32).

What are the key properties of 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135805304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).