[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C22H29N5O3 — CID 55433116

About [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 55433116) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
• PubChem CID: 55433116
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
• SMILES: Cc1cc(N2CCN(C(=O)C3CCCN3C(=O)c3ccco3)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C22H29N5O3/c1-15(2)20-23-16(3)14-19(24-20)25-9-11-26(12-10-25)21(28)17-6-4-8-27(17)22(29)18-7-5-13-30-18/h5,7,13-15,17H,4,6,8-12H2,1-3H3
• InChIKey: HGBSITUIAQBGPV-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 82.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

The IUPAC name of [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 55433116) is [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

What is the SMILES notation for [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

The canonical SMILES for [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C3CCCN3C(=O)c3ccco3)CC2)nc(C(C)C)n1.

What is the InChIKey of [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

The InChIKey is HGBSITUIAQBGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15(2)20-23-16(3)14-19(24-20)25-9-11-26(12-10-25)21(28)17-6-4-8-27(17)22(29)18-7-5-13-30-18/h5,7,13-15,17H,4,6,8-12H2,1-3H3.

What are the key properties of [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 411.51 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55433116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).