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

C9H11F3N2O3 — CID 79376114

IUPAC2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCOC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-5-7(15)14(8(13-6)16-2)3-4-17-9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyJYTGOARROYFAAO-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.10
Rot. Bonds4

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

2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (PubChem CID 79376114) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
PubChem CID79376114
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCOC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-5-7(15)14(8(13-6)16-2)3-4-17-9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyJYTGOARROYFAAO-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (CID 79376114) is 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CCOC(F)(F)F.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The InChIKey is JYTGOARROYFAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-6-5-7(15)14(8(13-6)16-2)3-4-17-9(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-(trifluoromethoxy)ethyl]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-(trifluoromethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 79376114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).