8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

C25H28N8O2 — CID 118163106

About 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 118163106) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
• PubChem CID: 118163106
• Molecular Formula: C25H28N8O2
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.23
• IUPAC Name: 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
• SMILES: CN(C)CCOc1ccc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)nc1
• InChI: InChI=1S/C25H28N8O2/c1-32(2)9-14-35-20-4-5-21(27-17-20)24-23-18(7-8-26-24)15-29-25(31-23)30-19-3-6-22(28-16-19)33-10-12-34-13-11-33/h3-8,15-17H,9-14H2,1-2H3,(H,29,30,31)
• InChIKey: HFRJWSLLBWOPFM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 101.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

The IUPAC name of 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (CID 118163106) is 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.

What is the SMILES notation for 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

The canonical SMILES for 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is CN(C)CCOc1ccc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)nc1.

What is the InChIKey of 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

The InChIKey is HFRJWSLLBWOPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-32(2)9-14-35-20-4-5-21(27-17-20)24-23-18(7-8-26-24)15-29-25(31-23)30-19-3-6-22(28-16-19)33-10-12-34-13-11-33/h3-8,15-17H,9-14H2,1-2H3,(H,29,30,31).

What are the key properties of 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 118163106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).