[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone

C21H26N6O3S — CID 71252357

About [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone

[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone (PubChem CID 71252357) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone
• PubChem CID: 71252357
• Molecular Formula: C21H26N6O3S
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.18
• IUPAC Name: [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone
• SMILES: Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2cnc(N3CCCS3(=O)=O)nc2)CC1
• InChI: InChI=1S/C21H26N6O3S/c1-15-11-17(16-3-4-16)12-22-19(15)25-6-8-26(9-7-25)20(28)18-13-23-21(24-14-18)27-5-2-10-31(27,29)30/h11-14,16H,2-10H2,1H3
• InChIKey: ASFCVQZCCLRRSE-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 99.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone?

The IUPAC name of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone (CID 71252357) is [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone.

What is the SMILES notation for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone?

The canonical SMILES for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2cnc(N3CCCS3(=O)=O)nc2)CC1.

What is the InChIKey of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone?

The InChIKey is ASFCVQZCCLRRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-15-11-17(16-3-4-16)12-22-19(15)25-6-8-26(9-7-25)20(28)18-13-23-21(24-14-18)27-5-2-10-31(27,29)30/h11-14,16H,2-10H2,1H3.

What are the key properties of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone?

[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone has a molecular weight of 442.55 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 71252357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).