5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine

C22H28N8O2 — CID 59507556

About 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine

5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 59507556) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
• PubChem CID: 59507556
• Molecular Formula: C22H28N8O2
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.23
• IUPAC Name: 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
• SMILES: Cc1c(-c2cnc(N)nc2)nc(N2CCOCC2)nc1-c1cncc(OCCN(C)C)c1
• InChI: InChI=1S/C22H28N8O2/c1-15-19(16-10-18(14-24-11-16)32-9-4-29(2)3)27-22(30-5-7-31-8-6-30)28-20(15)17-12-25-21(23)26-13-17/h10-14H,4-9H2,1-3H3,(H2,23,25,26)
• InChIKey: RZHJFCKKAFWBNI-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 115.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?

The IUPAC name of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine (CID 59507556) is 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine.

What is the SMILES notation for 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?

The canonical SMILES for 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine is Cc1c(-c2cnc(N)nc2)nc(N2CCOCC2)nc1-c1cncc(OCCN(C)C)c1.

What is the InChIKey of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?

The InChIKey is RZHJFCKKAFWBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-15-19(16-10-18(14-24-11-16)32-9-4-29(2)3)27-22(30-5-7-31-8-6-30)28-20(15)17-12-25-21(23)26-13-17/h10-14H,4-9H2,1-3H3,(H2,23,25,26).

What are the key properties of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?

5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 436.52 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 59507556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).