[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone

C20H28N6O2 — CID 72930514

About [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 72930514) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
• PubChem CID: 72930514
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
• SMILES: Cc1cc(N2CCN(C(=O)C3CCCN(Cc4ccco4)C3)CC2)nc(N)n1
• InChI: InChI=1S/C20H28N6O2/c1-15-12-18(23-20(21)22-15)25-7-9-26(10-8-25)19(27)16-4-2-6-24(13-16)14-17-5-3-11-28-17/h3,5,11-12,16H,2,4,6-10,13-14H2,1H3,(H2,21,22,23)
• InChIKey: ZDHVBNUWGQJRGL-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 91.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

The IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone (CID 72930514) is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone.

What is the SMILES notation for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

The canonical SMILES for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone is Cc1cc(N2CCN(C(=O)C3CCCN(Cc4ccco4)C3)CC2)nc(N)n1.

What is the InChIKey of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

The InChIKey is ZDHVBNUWGQJRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-12-18(23-20(21)22-15)25-7-9-26(10-8-25)19(27)16-4-2-6-24(13-16)14-17-5-3-11-28-17/h3,5,11-12,16H,2,4,6-10,13-14H2,1H3,(H2,21,22,23).

What are the key properties of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 72930514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).