2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one

C10H13F3N2O — CID 146614341

IUPAC2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)c(C(C)C)c(=O)n1C
InChIInChI=1S/C10H13F3N2O/c1-5(2)7-8(10(11,12)13)14-6(3)15(4)9(7)16/h5H,1-4H3
InChIKeyXWQUNUMZTYQTIK-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.23
Rot. Bonds1

About 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one

2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 146614341) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID146614341
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)c(C(C)C)c(=O)n1C
InChIInChI=1S/C10H13F3N2O/c1-5(2)7-8(10(11,12)13)14-6(3)15(4)9(7)16/h5H,1-4H3
InChIKeyXWQUNUMZTYQTIK-UHFFFAOYSA-N
XLogP2.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-Trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986103
2-Ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986585
Iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68987480
5,6-Ditert-butyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 71100440
5,6-Diethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 71110196
6-Methyl-5-(2-propyl)-2-trifluoromethyl-4H-pyrimidin-4-one
CID 136043553
5-Ethyl-3-prop-2-ynyl-6-(trifluoromethyl)pyrimidin-4-one
CID 149989120
4-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136064331
4-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288768
2-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 136743772
5-ethyl-4-methyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137232374
5,6-Ditert-butyl-2-ethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 159867555

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one (CID 146614341) is 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one is Cc1nc(C(F)(F)F)c(C(C)C)c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is XWQUNUMZTYQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-5(2)7-8(10(11,12)13)14-6(3)15(4)9(7)16/h5H,1-4H3.
What are the key properties of 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one?
2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 234.22 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 146614341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).