2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one

C10H13F3N2O3 — CID 79375940

IUPAC2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCOCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-7-5-8(16)15(9(14-7)17-2)3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3
InChIKeyUVLIKTBVPFCKAJ-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.14
Rot. Bonds5

About 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one (PubChem CID 79375940) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
PubChem CID79375940
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCOCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-7-5-8(16)15(9(14-7)17-2)3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3
InChIKeyUVLIKTBVPFCKAJ-UHFFFAOYSA-N
XLogP1.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4(3h)-one
CID 138756307
3-(2-Methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 21510787
3-(2-Methoxyethyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
CID 140183310
3-Propan-2-yl-2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-one
CID 21824410
5-Bromo-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 66310678
5-Iodo-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 66340651
5-Iodo-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66342885
2-Methoxy-6-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 79375275
3-(Difluoromethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79375363
3-(2,2-Difluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79375857
2-Methoxy-6-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 79376030
2-Methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 79376114

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one (CID 79375940) is 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CCOCC(F)(F)F.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one?
The InChIKey is UVLIKTBVPFCKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-7-5-8(16)15(9(14-7)17-2)3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one has a molecular weight of 266.22 g/mol, XLogP of 1.14, 5 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-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 79375940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).