5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

C6H5F3N2O2 — CID 130123874

IUPAC5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)ncc1CO
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5-10-1-3(2-12)4(13)11-5/h1,12H,2H2,(H,10,11,13)
InChIKeyUAOPXRGSWIVPBP-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.28
Rot. Bonds1

About 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 130123874) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID130123874
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)ncc1CO
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5-10-1-3(2-12)4(13)11-5/h1,12H,2H2,(H,10,11,13)
InChIKeyUAOPXRGSWIVPBP-UHFFFAOYSA-N
XLogP0.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Hydroxymethyl)-2-methylpyrimidin-4-ol
CID 14779126
6-Oxo-2-(trifluoromethyl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 10750850
5-(hydroxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 114204897
5-(hydroxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 114204906
5-(hydroxymethyl)-6-oxo-1H-pyrimidine-2-carboxamide
CID 132205751
2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 126974108
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 145174009
5-(Hydroxymethyl)-2-(trichloromethyl)-3,4-dihydropyrimidin-4-one
CID 165467455

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 130123874) is 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C(F)(F)F)ncc1CO.
What is the InChIKey of 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is UAOPXRGSWIVPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)5-10-1-3(2-12)4(13)11-5/h1,12H,2H2,(H,10,11,13).
What are the key properties of 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 194.11 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 130123874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).