2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C25H24ClN5O2 — CID 154632930

About 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 154632930) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
• PubChem CID: 154632930
• Molecular Formula: C25H24ClN5O2
• Molecular Weight: 461.95 g/mol
• Exact Mass: 461.16
• IUPAC Name: 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
• SMILES: Cn1c(OCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncc2)cc1=O
• InChI: InChI=1S/C25H24ClN5O2/c1-31-23(32)15-22(16-8-10-27-11-9-16)30-25(31)33-13-12-28-24-18-4-2-3-5-20(18)29-21-7-6-17(26)14-19(21)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,28,29)
• InChIKey: UVKGVZRBWSNAGM-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.95
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?

The IUPAC name of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 154632930) is 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

What is the SMILES notation for 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?

The canonical SMILES for 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(OCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncc2)cc1=O.

What is the InChIKey of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?

The InChIKey is UVKGVZRBWSNAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-31-23(32)15-22(16-8-10-27-11-9-16)30-25(31)33-13-12-28-24-18-4-2-3-5-20(18)29-21-7-6-17(26)14-19(21)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,28,29).

What are the key properties of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?

2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 461.95 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 154632930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).