5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one

C7H7F3N2O3 — CID 103240548

IUPAC5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H7F3N2O3/c1-14-4-5(13)11-3-12-6(4)15-2-7(8,9)10/h3H,2H2,1H3,(H,11,12,13)
InChIKeyOWBFWLJAROXXQK-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.72
Rot. Bonds3

About 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one

5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 103240548) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
PubChem CID103240548
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H7F3N2O3/c1-14-4-5(13)11-3-12-6(4)15-2-7(8,9)10/h3H,2H2,1H3,(H,11,12,13)
InChIKeyOWBFWLJAROXXQK-UHFFFAOYSA-N
XLogP0.72
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-5-methoxypyrimidin-4(3H)-one
CID 14960368
5-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136015807
5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 178112084
5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 178112152
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
5-methoxy-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819405
4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973716

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (CID 103240548) is 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is COc1c(OCC(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is OWBFWLJAROXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c1-14-4-5(13)11-3-12-6(4)15-2-7(8,9)10/h3H,2H2,1H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 224.14 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).