5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione

C20H15ClN4O5 — CID 55479686

About 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 55479686) has the molecular formula C20H15ClN4O5 and a molecular weight of 426.82 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 55479686
• Molecular Formula: C20H15ClN4O5
• Molecular Weight: 426.82 g/mol
• Exact Mass: 426.07
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione
• SMILES: CC1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(=O)n3cc(Cl)ccc3n2)C1=O
• InChI: InChI=1S/C20H15ClN4O5/c1-20(11-2-4-14-15(6-11)30-10-29-14)18(27)25(19(28)23-20)9-13-7-17(26)24-8-12(21)3-5-16(24)22-13/h2-8H,9-10H2,1H3,(H,23,28)
• InChIKey: VWMNXOCGRUXWJA-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.82
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 55479686) is 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(=O)n3cc(Cl)ccc3n2)C1=O.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is VWMNXOCGRUXWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O5/c1-20(11-2-4-14-15(6-11)30-10-29-14)18(27)25(19(28)23-20)9-13-7-17(26)24-8-12(21)3-5-16(24)22-13/h2-8H,9-10H2,1H3,(H,23,28).

What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 426.82 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 55479686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).