7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C28H27N5O3 — CID 135849983

About 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135849983) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135849983
• Molecular Formula: C28H27N5O3
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.21
• IUPAC Name: 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: COc1cc(C2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4C)nn32)ccc1OCc1ccccc1
• InChI: InChI=1S/C28H27N5O3/c1-17-9-7-8-12-21(17)27-31-28-30-18(2)24(26(29)34)25(33(28)32-27)20-13-14-22(23(15-20)35-3)36-16-19-10-5-4-6-11-19/h4-15,25H,16H2,1-3H3,(H2,29,34)(H,30,31,32)
• InChIKey: DAUZUNJXILQNEW-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135849983) is 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(C2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4C)nn32)ccc1OCc1ccccc1.

What is the InChIKey of 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is DAUZUNJXILQNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-17-9-7-8-12-21(17)27-31-28-30-18(2)24(26(29)34)25(33(28)32-27)20-13-14-22(23(15-20)35-3)36-16-19-10-5-4-6-11-19/h4-15,25H,16H2,1-3H3,(H2,29,34)(H,30,31,32).

What are the key properties of 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135849983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).