4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C12H9F3N2O2 — CID 55215283

IUPAC4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-6-10(18)16-9(17-11(6)19)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H2,16,17,18,19)
InChIKeyVGIZHMMSWRRVOY-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.47
Rot. Bonds1

About 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 55215283) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID55215283
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-6-10(18)16-9(17-11(6)19)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H2,16,17,18,19)
InChIKeyVGIZHMMSWRRVOY-UHFFFAOYSA-N
XLogP2.47
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.47
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-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 55215283) is 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is Cc1c(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is VGIZHMMSWRRVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-6-10(18)16-9(17-11(6)19)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 270.21 g/mol, XLogP of 2.47, 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-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 55215283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).