N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C20H25N7 — CID 72905200

About N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72905200) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
• PubChem CID: 72905200
• Molecular Formula: C20H25N7
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.22
• IUPAC Name: N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
• SMILES: CNc1cc(C)nc(N2CCCC(c3nccn3Cc3ccncc3)C2)n1
• InChI: InChI=1S/C20H25N7/c1-15-12-18(21-2)25-20(24-15)27-10-3-4-17(14-27)19-23-9-11-26(19)13-16-5-7-22-8-6-16/h5-9,11-12,17H,3-4,10,13-14H2,1-2H3,(H,21,24,25)
• InChIKey: YPHGEOJEOVFTNJ-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 72905200) is N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

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

The canonical SMILES for N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CNc1cc(C)nc(N2CCCC(c3nccn3Cc3ccncc3)C2)n1.

What is the InChIKey of N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?

The InChIKey is YPHGEOJEOVFTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-15-12-18(21-2)25-20(24-15)27-10-3-4-17(14-27)19-23-9-11-26(19)13-16-5-7-22-8-6-16/h5-9,11-12,17H,3-4,10,13-14H2,1-2H3,(H,21,24,25).

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

N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72905200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).