2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one

C14H17F3N4O3 — CID 137219194

IUPAC2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCC(=O)N2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N4O3/c1-8-10(13(24)19-9(2)18-8)3-4-11(22)20-5-12(23)21(7-20)6-14(15,16)17/h3-7H2,1-2H3,(H,18,19,24)
InChIKeyMRWYMMSUHCGHHS-UHFFFAOYSA-N
MW346.31 g/mol
LogP0.51
Rot. Bonds4

About 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one (PubChem CID 137219194) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one
PubChem CID137219194
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCC(=O)N2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N4O3/c1-8-10(13(24)19-9(2)18-8)3-4-11(22)20-5-12(23)21(7-20)6-14(15,16)17/h3-7H2,1-2H3,(H,18,19,24)
InChIKeyMRWYMMSUHCGHHS-UHFFFAOYSA-N
XLogP0.51
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one (CID 137219194) is 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CCC(=O)N2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one?
The InChIKey is MRWYMMSUHCGHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c1-8-10(13(24)19-9(2)18-8)3-4-11(22)20-5-12(23)21(7-20)6-14(15,16)17/h3-7H2,1-2H3,(H,18,19,24).
What are the key properties of 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one has a molecular weight of 346.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[3-oxo-3-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137219194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).