2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride

C24H32Cl2N4O — CID 131710265

About 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride

2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride (PubChem CID 131710265) has the molecular formula C24H32Cl2N4O and a molecular weight of 463.45 g/mol. Its IUPAC name is 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride.

Molecular Properties

• Compound Name: 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
• PubChem CID: 131710265
• Molecular Formula: C24H32Cl2N4O
• Molecular Weight: 463.45 g/mol
• Exact Mass: 462.20
• IUPAC Name: 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
• SMILES: Cc1cccc(N2CCN(CCc3c(C)nc4cc(C)cc(C)n4c3=O)CC2)c1.Cl.Cl
• InChI: InChI=1S/C24H30N4O.2ClH/c1-17-6-5-7-21(15-17)27-12-10-26(11-13-27)9-8-22-20(4)25-23-16-18(2)14-19(3)28(23)24(22)29;;/h5-7,14-16H,8-13H2,1-4H3;2*1H
• InChIKey: RHOOAEDCVKIHJA-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 40.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.45
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?

The IUPAC name of 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride (CID 131710265) is 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride.

What is the SMILES notation for 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?

The canonical SMILES for 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride is Cc1cccc(N2CCN(CCc3c(C)nc4cc(C)cc(C)n4c3=O)CC2)c1.Cl.Cl.

What is the InChIKey of 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?

The InChIKey is RHOOAEDCVKIHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.2ClH/c1-17-6-5-7-21(15-17)27-12-10-26(11-13-27)9-8-22-20(4)25-23-16-18(2)14-19(3)28(23)24(22)29;;/h5-7,14-16H,8-13H2,1-4H3;2*1H.

What are the key properties of 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?

2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride has a molecular weight of 463.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 131710265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).