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

C14H13N3O2 — CID 116896986

IUPAC6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCc1cc(-c2ccc3c(c2)oc(=O)n3C)nc(C)n1
InChIInChI=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
InChIKeyYWFRLIURXCBNFL-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.21
Rot. Bonds1

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 Name6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID116896986
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCc1cc(-c2ccc3c(c2)oc(=O)n3C)nc(C)n1
InChIInChI=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
InChIKeyYWFRLIURXCBNFL-UHFFFAOYSA-N
XLogP2.21
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).