2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one

C9H11F3N2O3 — CID 106706300

IUPAC2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-3-7(15)14(8(13-6)16-2)5-17-4-9(10,11)12/h3H,4-5H2,1-2H3
InChIKeyIBCCEMGQGCMGCI-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.10
Rot. Bonds4

About 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one (PubChem CID 106706300) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
PubChem CID106706300
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-3-7(15)14(8(13-6)16-2)5-17-4-9(10,11)12/h3H,4-5H2,1-2H3
InChIKeyIBCCEMGQGCMGCI-UHFFFAOYSA-N
XLogP1.10
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Potassium 1-methyl-6-oxo-4-(trifluoromethyl)1,6-dihydropyrimidin-2-olate
CID 138756302
2-Ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4(3h)-one
CID 138756307
3-(2-Methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 21510787
1-Methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
CID 22974786
2-Ethoxy-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68991409
6-(Difluoromethyl)-3-methylpyrimidin-4-one
CID 129260618
Ethane;3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 141916701
2-Hydroxy-1,3-dimethyl-6-(trifluoromethyl)pyrimidin-1-ium-4-one
CID 148669369
2-Methyl-7-(trifluoromethyl)-[1,3]oxazolo[3,2-a]pyrimidin-5-one
CID 156409806
3-Propan-2-yl-2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-one
CID 21824410
Trifluoro-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]boranuide
CID 79374198
2-Methoxy-6-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 79375275

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one (CID 106706300) is 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1COCC(F)(F)F.
What is the InChIKey of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
The InChIKey is IBCCEMGQGCMGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-6-3-7(15)14(8(13-6)16-2)5-17-4-9(10,11)12/h3H,4-5H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one has a molecular weight of 252.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one is sourced from PubChem (CID 106706300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).