2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide

C18H20N6O5 — CID 55457566

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide (PubChem CID 55457566) has the molecular formula C18H20N6O5 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide
• PubChem CID: 55457566
• Molecular Formula: C18H20N6O5
• Molecular Weight: 400.40 g/mol
• Exact Mass: 400.15
• IUPAC Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide
• SMILES: Cn1c(=O)c2cc(NC(=O)CN3C(=O)NC(C)(C4CC4)C3=O)cnc2n(C)c1=O
• InChI: InChI=1S/C18H20N6O5/c1-18(9-4-5-9)15(27)24(16(28)21-18)8-12(25)20-10-6-11-13(19-7-10)22(2)17(29)23(3)14(11)26/h6-7,9H,4-5,8H2,1-3H3,(H,20,25)(H,21,28)
• InChIKey: WDUCYLOZFZQUCO-UHFFFAOYSA-N
• XLogP: -0.71
• TPSA: 135.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.40
LogP ≤ 5	-0.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide?

The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide (CID 55457566) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide.

What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide?

The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide is Cn1c(=O)c2cc(NC(=O)CN3C(=O)NC(C)(C4CC4)C3=O)cnc2n(C)c1=O.

What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide?

The InChIKey is WDUCYLOZFZQUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O5/c1-18(9-4-5-9)15(27)24(16(28)21-18)8-12(25)20-10-6-11-13(19-7-10)22(2)17(29)23(3)14(11)26/h6-7,9H,4-5,8H2,1-3H3,(H,20,25)(H,21,28).

What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide?

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 400.40 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 55457566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).