5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

C19H29N7O — CID 70711406

About 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 70711406) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

• Compound Name: 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
• PubChem CID: 70711406
• Molecular Formula: C19H29N7O
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.24
• IUPAC Name: 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
• SMILES: COc1cnc(N2CCCC(c3nnc(CN4CCCCC4)n3C)C2)nc1
• InChI: InChI=1S/C19H29N7O/c1-24-17(14-25-8-4-3-5-9-25)22-23-18(24)15-7-6-10-26(13-15)19-20-11-16(27-2)12-21-19/h11-12,15H,3-10,13-14H2,1-2H3
• InChIKey: HMDDAUYMAVJDOH-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 72.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?

The IUPAC name of 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (CID 70711406) is 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

What is the SMILES notation for 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?

The canonical SMILES for 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is COc1cnc(N2CCCC(c3nnc(CN4CCCCC4)n3C)C2)nc1.

What is the InChIKey of 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?

The InChIKey is HMDDAUYMAVJDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-24-17(14-25-8-4-3-5-9-25)22-23-18(24)15-7-6-10-26(13-15)19-20-11-16(27-2)12-21-19/h11-12,15H,3-10,13-14H2,1-2H3.

What are the key properties of 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?

5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 371.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 70711406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).