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

C7H7F3N2O2 — CID 166796824

IUPAC2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESCc1ncc(OCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F3N2O2/c1-4-11-2-5(6(13)12-4)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyHGZBRANNCLVIOU-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.02
Rot. Bonds2

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

2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 166796824) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
PubChem CID166796824
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESCc1ncc(OCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H7F3N2O2/c1-4-11-2-5(6(13)12-4)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyHGZBRANNCLVIOU-UHFFFAOYSA-N
XLogP1.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 5-ethoxy-2-ethyl-
CID 3025549
5-Methoxy-2-(trifluoromethyl)-4-pyrimidinol
CID 27282730
2-amino-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 164908133
2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one
CID 171526173
2-chloro-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 178112057
2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 178112127
5-Methoxy-2-methylpyrimidin-4-ol
CID 4181150
5-Fluoro-2-(methoxymethyl)pyrimidin-4-ol
CID 40151942
2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473451
5-iodo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473505
5-Ethoxy-2-methylpyrimidin-4(3h)-one
CID 535917
5-ethoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 12489239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (CID 166796824) is 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is Cc1ncc(OCC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is HGZBRANNCLVIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-4-11-2-5(6(13)12-4)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13).
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 208.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 166796824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).