2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid

C24H25N7O2 — CID 15657901

About 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid

2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 15657901) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
• PubChem CID: 15657901
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
• SMILES: Cc1ncc(C(=O)O)c(N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC(C)C)n1
• InChI: InChI=1S/C24H25N7O2/c1-15(2)13-31(23-21(24(32)33)12-25-16(3)26-23)14-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-27-29-30-28-22/h4-12,15H,13-14H2,1-3H3,(H,32,33)(H,27,28,29,30)
• InChIKey: VNXLIKRRXSTBCZ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 120.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid?

The IUPAC name of 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid (CID 15657901) is 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid?

The canonical SMILES for 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC(C)C)n1.

What is the InChIKey of 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid?

The InChIKey is VNXLIKRRXSTBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-15(2)13-31(23-21(24(32)33)12-25-16(3)26-23)14-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-27-29-30-28-22/h4-12,15H,13-14H2,1-3H3,(H,32,33)(H,27,28,29,30).

What are the key properties of 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid?

2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 443.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 15657901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).