4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine

C21H20N8O2 — CID 123528273

About 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine

4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine (PubChem CID 123528273) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine.

Molecular Properties

• Compound Name: 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
• PubChem CID: 123528273
• Molecular Formula: C21H20N8O2
• Molecular Weight: 416.45 g/mol
• Exact Mass: 416.17
• IUPAC Name: 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
• SMILES: COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nn[nH]n3)nc2)nc1
• InChI: InChI=1S/C21H20N8O2/c1-12-22-10-17(13-3-5-19(23-8-13)20-26-28-29-27-20)21(25-12)31-11-14-7-16(14)18-6-4-15(30-2)9-24-18/h3-6,8-10,14,16H,7,11H2,1-2H3,(H,26,27,28,29)
• InChIKey: IGWGPBRUXRVYCD-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 124.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.45
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine?

The IUPAC name of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine (CID 123528273) is 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine.

What is the SMILES notation for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine?

The canonical SMILES for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine is COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nn[nH]n3)nc2)nc1.

What is the InChIKey of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine?

The InChIKey is IGWGPBRUXRVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-12-22-10-17(13-3-5-19(23-8-13)20-26-28-29-27-20)21(25-12)31-11-14-7-16(14)18-6-4-15(30-2)9-24-18/h3-6,8-10,14,16H,7,11H2,1-2H3,(H,26,27,28,29).

What are the key properties of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine?

4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine has a molecular weight of 416.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 123528273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).