N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

C18H19N5O3 — CID 91763480

About N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 91763480) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 91763480
• Molecular Formula: C18H19N5O3
• Molecular Weight: 353.38 g/mol
• Exact Mass: 353.15
• IUPAC Name: N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cn3cccnc3n2)cn1
• InChI: InChI=1S/C18H19N5O3/c1-12-3-4-13(9-20-12)26-16-11-25-8-5-14(16)21-17(24)15-10-23-7-2-6-19-18(23)22-15/h2-4,6-7,9-10,14,16H,5,8,11H2,1H3,(H,21,24)/t14-,16+/m1/s1
• InChIKey: CPFGFBZEPJTQOU-ZBFHGGJFSA-N
• XLogP: 1.40
• TPSA: 90.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.38
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 91763480) is N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cn3cccnc3n2)cn1.

What is the InChIKey of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is CPFGFBZEPJTQOU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-3-4-13(9-20-12)26-16-11-25-8-5-14(16)21-17(24)15-10-23-7-2-6-19-18(23)22-15/h2-4,6-7,9-10,14,16H,5,8,11H2,1H3,(H,21,24)/t14-,16+/m1/s1.

What are the key properties of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?

N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).