[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone

C25H26N6O2 — CID 92560275

About [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone

[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 92560275) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
• PubChem CID: 92560275
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
• SMILES: Cc1ccc2oc(C(=O)N3CCC(c4cc(N(C)C)nc(-c5cnccn5)n4)CC3)cc2c1
• InChI: InChI=1S/C25H26N6O2/c1-16-4-5-21-18(12-16)13-22(33-21)25(32)31-10-6-17(7-11-31)19-14-23(30(2)3)29-24(28-19)20-15-26-8-9-27-20/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3
• InChIKey: VBTBRZQIKQVPLQ-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 88.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?

The IUPAC name of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone (CID 92560275) is [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone.

What is the SMILES notation for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?

The canonical SMILES for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)N3CCC(c4cc(N(C)C)nc(-c5cnccn5)n4)CC3)cc2c1.

What is the InChIKey of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?

The InChIKey is VBTBRZQIKQVPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-4-5-21-18(12-16)13-22(33-21)25(32)31-10-6-17(7-11-31)19-14-23(30(2)3)29-24(28-19)20-15-26-8-9-27-20/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3.

What are the key properties of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?

[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 442.52 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 92560275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).