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

C7H7F3N2O2 — CID 63611761

IUPAC4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-3-5(13)11-4(12-6(3)14)2-7(8,9)10/h2H2,1H3,(H2,11,12,13,14)
InChIKeyDUCRHRHBAXGYTN-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.89
Rot. Bonds1

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

4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 63611761) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID63611761
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-3-5(13)11-4(12-6(3)14)2-7(8,9)10/h2H2,1H3,(H2,11,12,13,14)
InChIKeyDUCRHRHBAXGYTN-UHFFFAOYSA-N
XLogP0.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 63611761) is 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CC(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is DUCRHRHBAXGYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3-5(13)11-4(12-6(3)14)2-7(8,9)10/h2H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 208.14 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63611761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).