2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine

C24H29N9O2 — CID 139450095

About 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine

2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 139450095) has the molecular formula C24H29N9O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
• PubChem CID: 139450095
• Molecular Formula: C24H29N9O2
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.24
• IUPAC Name: 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
• SMILES: CN(C)CCOc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C24H29N9O2/c1-31(2)9-14-35-23-4-3-19(17-26-23)28-24-29-20(16-22(30-24)33-10-12-34-13-11-33)27-18-5-7-32-8-6-25-21(32)15-18/h3-8,15-17H,9-14H2,1-2H3,(H2,27,28,29,30)
• InChIKey: KSBSOCNFUZIGDZ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 104.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?

The IUPAC name of 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 139450095) is 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine is CN(C)CCOc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cn1.

What is the InChIKey of 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?

The InChIKey is KSBSOCNFUZIGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O2/c1-31(2)9-14-35-23-4-3-19(17-26-23)28-24-29-20(16-22(30-24)33-10-12-34-13-11-33)27-18-5-7-32-8-6-25-21(32)15-18/h3-8,15-17H,9-14H2,1-2H3,(H2,27,28,29,30).

What are the key properties of 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?

2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 475.56 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 139450095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).