2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

C21H26N6 — CID 97123365

About 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 97123365) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

• Compound Name: 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
• PubChem CID: 97123365
• Molecular Formula: C21H26N6
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.22
• IUPAC Name: 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
• SMILES: Cc1nc(C)c(C)c(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1
• InChI: InChI=1S/C21H26N6/c1-15-16(2)24-17(3)25-20(15)26-11-4-5-19(14-26)21-23-10-12-27(21)13-18-6-8-22-9-7-18/h6-10,12,19H,4-5,11,13-14H2,1-3H3/t19-/m0/s1
• InChIKey: YBKHPBFZHWONIS-IBGZPJMESA-N
• XLogP: 3.43
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?

The IUPAC name of 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 97123365) is 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

What is the SMILES notation for 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?

The canonical SMILES for 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is Cc1nc(C)c(C)c(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1.

What is the InChIKey of 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?

The InChIKey is YBKHPBFZHWONIS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N6/c1-15-16(2)24-17(3)25-20(15)26-11-4-5-19(14-26)21-23-10-12-27(21)13-18-6-8-22-9-7-18/h6-10,12,19H,4-5,11,13-14H2,1-3H3/t19-/m0/s1.

What are the key properties of 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?

2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 362.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97123365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).