3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one

C11H13F3N4O3S — CID 138009280

IUPAC3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one
SMILESCC1C(=O)N(C)CN1c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C11H13F3N4O3S/c1-6-9(19)17(2)5-18(6)8-4-7(11(12,13)14)15-10(16-8)22(3,20)21/h4,6H,5H2,1-3H3
InChIKeyJGRMNBSBOCNQHP-UHFFFAOYSA-N
MW338.31 g/mol
LogP0.52
Rot. Bonds2

About 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one

3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one (PubChem CID 138009280) has the molecular formula C11H13F3N4O3S and a molecular weight of 338.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one
PubChem CID138009280
Molecular FormulaC11H13F3N4O3S
Molecular Weight338.31 g/mol
Exact Mass338.07
IUPAC Name3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one
SMILESCC1C(=O)N(C)CN1c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C11H13F3N4O3S/c1-6-9(19)17(2)5-18(6)8-4-7(11(12,13)14)15-10(16-8)22(3,20)21/h4,6H,5H2,1-3H3
InChIKeyJGRMNBSBOCNQHP-UHFFFAOYSA-N
XLogP0.52
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one?
The IUPAC name of 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one (CID 138009280) is 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one.
What is the SMILES notation for 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one?
The canonical SMILES for 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one is CC1C(=O)N(C)CN1c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1.
What is the InChIKey of 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one?
The InChIKey is JGRMNBSBOCNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3S/c1-6-9(19)17(2)5-18(6)8-4-7(11(12,13)14)15-10(16-8)22(3,20)21/h4,6H,5H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one?
3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one has a molecular weight of 338.31 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-4-one is sourced from PubChem (CID 138009280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).