4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C8H9F3N2O3 — CID 103473469

IUPAC4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(COCC(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H9F3N2O3/c1-4-6(14)12-5(13-7(4)15)2-16-3-8(9,10)11/h2-3H2,1H3,(H2,12,13,14,15)
InChIKeyGULQPXMYWAOOJM-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.86
Rot. Bonds3

About 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 103473469) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID103473469
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(COCC(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H9F3N2O3/c1-4-6(14)12-5(13-7(4)15)2-16-3-8(9,10)11/h2-3H2,1H3,(H2,12,13,14,15)
InChIKeyGULQPXMYWAOOJM-UHFFFAOYSA-N
XLogP0.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-2-(hydroxymethyl)-5-methylpyrimidin-4(3h)-one
CID 237016
4-hydroxy-5-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954214
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 103146608
4-hydroxy-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146609
5-ethyl-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146610
4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473467
4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473468
5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473470
4-hydroxy-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473471
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473472
4-hydroxy-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473473
4-hydroxy-5-iodo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473479

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 103473469) is 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(COCC(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is GULQPXMYWAOOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-4-6(14)12-5(13-7(4)15)2-16-3-8(9,10)11/h2-3H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 238.16 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103473469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).