3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

C12H15N3O2 — CID 684772

IUPAC3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(c2nc(C)cc(C)n2)C(=O)OC1(C)C
InChIInChI=1S/C12H15N3O2/c1-7-6-8(2)14-10(13-7)15-9(3)12(4,5)17-11(15)16/h6H,3H2,1-2,4-5H3
InChIKeyFFKJZSFQKYXHCO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.34
Rot. Bonds1

About 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 684772) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
PubChem CID684772
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(c2nc(C)cc(C)n2)C(=O)OC1(C)C
InChIInChI=1S/C12H15N3O2/c1-7-6-8(2)14-10(13-7)15-9(3)12(4,5)17-11(15)16/h6H,3H2,1-2,4-5H3
InChIKeyFFKJZSFQKYXHCO-UHFFFAOYSA-N
XLogP2.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (CID 684772) is 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is C=C1N(c2nc(C)cc(C)n2)C(=O)OC1(C)C.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is FFKJZSFQKYXHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-6-8(2)14-10(13-7)15-9(3)12(4,5)17-11(15)16/h6H,3H2,1-2,4-5H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 684772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).