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

C20H24N6 — CID 97130207

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

4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 97130207) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

• Compound Name: 4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
• PubChem CID: 97130207
• Molecular Formula: C20H24N6
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.21
• IUPAC Name: 4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
• SMILES: Cc1ncnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1C
• InChI: InChI=1S/C20H24N6/c1-15-16(2)23-14-24-19(15)25-9-4-6-18(13-25)20-22-8-10-26(20)12-17-5-3-7-21-11-17/h3,5,7-8,10-11,14,18H,4,6,9,12-13H2,1-2H3/t18-/m0/s1
• InChIKey: SGKFLATUUHKTJS-SFHVURJKSA-N
• XLogP: 3.12
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 97130207) is 4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

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

The canonical SMILES for 4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is Cc1ncnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1C.

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

The InChIKey is SGKFLATUUHKTJS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-16(2)23-14-24-19(15)25-9-4-6-18(13-25)20-22-8-10-26(20)12-17-5-3-7-21-11-17/h3,5,7-8,10-11,14,18H,4,6,9,12-13H2,1-2H3/t18-/m0/s1.

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

4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97130207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).