2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol

C18H26N4O2S — CID 98566079

About 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 98566079) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 98566079
• Molecular Formula: C18H26N4O2S
• Molecular Weight: 362.50 g/mol
• Exact Mass: 362.18
• IUPAC Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
• SMILES: CSc1ncc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cn1
• InChI: InChI=1S/C18H26N4O2S/c1-14-3-4-17(24-14)13-22-7-6-21(12-16(22)5-8-23)11-15-9-19-18(25-2)20-10-15/h3-4,9-10,16,23H,5-8,11-13H2,1-2H3/t16-/m1/s1
• InChIKey: BGYVVJFLOZIAAR-MRXNPFEDSA-N
• XLogP: 2.17
• TPSA: 65.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.50
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol (CID 98566079) is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol.

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

The canonical SMILES for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol is CSc1ncc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cn1.

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

The InChIKey is BGYVVJFLOZIAAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-14-3-4-17(24-14)13-22-7-6-21(12-16(22)5-8-23)11-15-9-19-18(25-2)20-10-15/h3-4,9-10,16,23H,5-8,11-13H2,1-2H3/t16-/m1/s1.

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

2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 362.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98566079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).