1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol

C21H28N6O — CID 134708312

About 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 134708312) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol
• PubChem CID: 134708312
• Molecular Formula: C21H28N6O
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.23
• IUPAC Name: 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol
• SMILES: Cc1ccc2nc(C(Nc3cc(N4CCC(O)CC4)ncn3)C(C)C)[nH]c2c1
• InChI: InChI=1S/C21H28N6O/c1-13(2)20(21-24-16-5-4-14(3)10-17(16)25-21)26-18-11-19(23-12-22-18)27-8-6-15(28)7-9-27/h4-5,10-13,15,20,28H,6-9H2,1-3H3,(H,24,25)(H,22,23,26)
• InChIKey: NQCZXKXGRBFUBM-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 89.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol?

The IUPAC name of 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 134708312) is 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol.

What is the SMILES notation for 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol?

The canonical SMILES for 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol is Cc1ccc2nc(C(Nc3cc(N4CCC(O)CC4)ncn3)C(C)C)[nH]c2c1.

What is the InChIKey of 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol?

The InChIKey is NQCZXKXGRBFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-13(2)20(21-24-16-5-4-14(3)10-17(16)25-21)26-18-11-19(23-12-22-18)27-8-6-15(28)7-9-27/h4-5,10-13,15,20,28H,6-9H2,1-3H3,(H,24,25)(H,22,23,26).

What are the key properties of 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol?

1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 380.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 134708312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).