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

C24H29N9O — CID 139450206

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

2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (PubChem CID 139450206) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is 2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
• PubChem CID: 139450206
• Molecular Formula: C24H29N9O
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.25
• IUPAC Name: 2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
• SMILES: CN(C)CCOc1cccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCC3)n2)n1
• InChI: InChI=1S/C24H29N9O/c1-31(2)14-15-34-23-7-5-6-19(27-23)28-24-29-20(17-22(30-24)32-10-3-4-11-32)26-18-8-12-33-13-9-25-21(33)16-18/h5-9,12-13,16-17H,3-4,10-11,14-15H2,1-2H3,(H2,26,27,28,29,30)
• InChIKey: XGISBOCVZCDSSV-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (CID 139450206) is 2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.

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

The canonical SMILES for 2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is CN(C)CCOc1cccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCC3)n2)n1.

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

The InChIKey is XGISBOCVZCDSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O/c1-31(2)14-15-34-23-7-5-6-19(27-23)28-24-29-20(17-22(30-24)32-10-3-4-11-32)26-18-8-12-33-13-9-25-21(33)16-18/h5-9,12-13,16-17H,3-4,10-11,14-15H2,1-2H3,(H2,26,27,28,29,30).

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

2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 459.56 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 139450206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).