6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one

C₁₄H₁₃N₃O₂ — CID 116896986

About 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one

6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 116896986) has the molecular formula C₁₄H₁₃N₃O₂ and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
• PubChem CID: 116896986
• Molecular Formula: C₁₄H₁₃N₃O₂
• Molecular Weight: 255.28 g/mol
• Exact Mass: 255.10
• IUPAC Name: 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
• SMILES: Cc1cc(-c2ccc3c(c2)oc(=O)n3C)nc(C)n1
• InChI: InChI=1S/C14H13N3O2/c1-8-6-11(16-9(2)15-8)10-4-5-12-13(7-10)19-14(18)17(12)3/h4-7H,1-3H3
• InChIKey: YWFRLIURXCBNFL-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 60.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.28
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one?

The IUPAC name of 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one (CID 116896986) is 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one.

What is the SMILES notation for 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one?

The canonical SMILES for 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one is Cc1cc(-c2ccc3c(c2)oc(=O)n3C)nc(C)n1.

What is the InChIKey of 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one?

The InChIKey is YWFRLIURXCBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-6-11(16-9(2)15-8)10-4-5-12-13(7-10)19-14(18)17(12)3/h4-7H,1-3H3.

What are the key properties of 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one?

6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 116896986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116896986 — identifiers, structure, computed properties (public domain)

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