2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C25H29N7O2 — CID 58309953

About 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 58309953) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• PubChem CID: 58309953
• Molecular Formula: C25H29N7O2
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.24
• IUPAC Name: 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• SMILES: Cc1nc(Nc2ccc(OC3=CC4C=CC=CC4C=C3)cn2)nc(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C25H29N7O2/c1-18-27-24(30-25(28-18)32-12-10-31(11-13-32)14-15-33)29-23-9-8-22(17-26-23)34-21-7-6-19-4-2-3-5-20(19)16-21/h2-9,16-17,19-20,33H,10-15H2,1H3,(H,26,27,28,29,30)
• InChIKey: AWTNBKXVJYIMRW-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 99.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The IUPAC name of 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 58309953) is 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ccc(OC3=CC4C=CC=CC4C=C3)cn2)nc(N2CCN(CCO)CC2)n1.

What is the InChIKey of 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The InChIKey is AWTNBKXVJYIMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-18-27-24(30-25(28-18)32-12-10-31(11-13-32)14-15-33)29-23-9-8-22(17-26-23)34-21-7-6-19-4-2-3-5-20(19)16-21/h2-9,16-17,19-20,33H,10-15H2,1H3,(H,26,27,28,29,30).

What are the key properties of 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 459.55 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[5-(4a,8a-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 58309953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).