2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

C19H28N4O2 — CID 56915290

About 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 56915290) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 56915290
• Molecular Formula: C19H28N4O2
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.22
• IUPAC Name: 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• SMILES: CCc1cnc(C)nc1N1CCN(Cc2ccc(C)o2)C(CCO)C1
• InChI: InChI=1S/C19H28N4O2/c1-4-16-11-20-15(3)21-19(16)23-9-8-22(17(12-23)7-10-24)13-18-6-5-14(2)25-18/h5-6,11,17,24H,4,7-10,12-13H2,1-3H3
• InChIKey: BWQMGKZGHNAFNM-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 65.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 56915290) is 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is CCc1cnc(C)nc1N1CCN(Cc2ccc(C)o2)C(CCO)C1.

What is the InChIKey of 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is BWQMGKZGHNAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-16-11-20-15(3)21-19(16)23-9-8-22(17(12-23)7-10-24)13-18-6-5-14(2)25-18/h5-6,11,17,24H,4,7-10,12-13H2,1-3H3.

What are the key properties of 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 56915290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).