N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C26H29N7O4 — CID 135662393

About N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135662393) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135662393
• Molecular Formula: C26H29N7O4
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.23
• IUPAC Name: N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccc(C)c2C)C(c2ccc(OCC(=O)N3CCOCC3)cc2)n2nnnc2N1
• InChI: InChI=1S/C26H29N7O4/c1-16-5-4-6-21(17(16)2)28-25(35)23-18(3)27-26-29-30-31-33(26)24(23)19-7-9-20(10-8-19)37-15-22(34)32-11-13-36-14-12-32/h4-10,24H,11-15H2,1-3H3,(H,28,35)(H,27,29,31)
• InChIKey: QTGARUXAQNGVQB-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 123.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135662393) is N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccc(C)c2C)C(c2ccc(OCC(=O)N3CCOCC3)cc2)n2nnnc2N1.

What is the InChIKey of N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is QTGARUXAQNGVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-16-5-4-6-21(17(16)2)28-25(35)23-18(3)27-26-29-30-31-33(26)24(23)19-7-9-20(10-8-19)37-15-22(34)32-11-13-36-14-12-32/h4-10,24H,11-15H2,1-3H3,(H,28,35)(H,27,29,31).

What are the key properties of N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135662393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).