ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate

C20H24N6O2 — CID 68974221

About ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate

ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate (PubChem CID 68974221) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate
• PubChem CID: 68974221
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)nc1C
• InChI: InChI=1S/C20H24N6O2/c1-6-28-19(27)15-7-8-18(23-13(15)4)25-20-21-10-9-16(24-20)17-11-22-14(5)26(17)12(2)3/h7-12H,6H2,1-5H3,(H,21,23,24,25)
• InChIKey: GTRMBUSIYODCJE-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate?

The IUPAC name of ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate (CID 68974221) is ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate?

The canonical SMILES for ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)nc1C.

What is the InChIKey of ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate?

The InChIKey is GTRMBUSIYODCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-6-28-19(27)15-7-8-18(23-13(15)4)25-20-21-10-9-16(24-20)17-11-22-14(5)26(17)12(2)3/h7-12H,6H2,1-5H3,(H,21,23,24,25).

What are the key properties of ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate?

ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 68974221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).