lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate

C17H17LiN6O2 — CID 68974264

About lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate

lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate (PubChem CID 68974264) has the molecular formula C17H17LiN6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate
• PubChem CID: 68974264
• Molecular Formula: C17H17LiN6O2
• Molecular Weight: 344.30 g/mol
• Exact Mass: 344.16
• IUPAC Name: lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate
• SMILES: Cc1ncc(-c2ccnc(Nc3ccc(C(=O)[O-])nc3)n2)n1C(C)C.[Li+]
• InChI: InChI=1S/C17H18N6O2.Li/c1-10(2)23-11(3)19-9-15(23)13-6-7-18-17(22-13)21-12-4-5-14(16(24)25)20-8-12;/h4-10H,1-3H3,(H,24,25)(H,18,21,22);/q;+1/p-1
• InChIKey: ZPCDUAJXIQIQJZ-UHFFFAOYSA-M
• XLogP: -1.26
• TPSA: 108.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.30
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?

The IUPAC name of lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate (CID 68974264) is lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate.

What is the SMILES notation for lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?

The canonical SMILES for lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate is Cc1ncc(-c2ccnc(Nc3ccc(C(=O)[O-])nc3)n2)n1C(C)C.[Li+].

What is the InChIKey of lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?

The InChIKey is ZPCDUAJXIQIQJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N6O2.Li/c1-10(2)23-11(3)19-9-15(23)13-6-7-18-17(22-13)21-12-4-5-14(16(24)25)20-8-12;/h4-10H,1-3H3,(H,24,25)(H,18,21,22);/q;+1/p-1.

What are the key properties of lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?

lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate has a molecular weight of 344.30 g/mol, XLogP of -1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for lithium 5-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 68974264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).