1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate

C6H4F3N2O2- — CID 22974786

IUPAC1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
SMILESCn1c([O-])nc(C(F)(F)F)cc1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-4(12)2-3(6(7,8)9)10-5(11)13/h2H,1H3,(H,10,13)/p-1
InChIKeyCXBAZDFXOJPODP-UHFFFAOYSA-M
MW193.10 g/mol
LogP-0.13
Rot. Bonds

About 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate

1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate (PubChem CID 22974786) has the molecular formula C6H4F3N2O2- and a molecular weight of 193.10 g/mol. Its IUPAC name is 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate.

Molecular Properties

Compound Name1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
PubChem CID22974786
Molecular FormulaC6H4F3N2O2-
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Name1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
SMILESCn1c([O-])nc(C(F)(F)F)cc1=O
InChIInChI=1S/C6H5F3N2O2/c1-11-4(12)2-3(6(7,8)9)10-5(11)13/h2H,1H3,(H,10,13)/p-1
InChIKeyCXBAZDFXOJPODP-UHFFFAOYSA-M
XLogP-0.13
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
The IUPAC name of 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate (CID 22974786) is 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate.
What is the SMILES notation for 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
The canonical SMILES for 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate is Cn1c([O-])nc(C(F)(F)F)cc1=O.
What is the InChIKey of 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
The InChIKey is CXBAZDFXOJPODP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5F3N2O2/c1-11-4(12)2-3(6(7,8)9)10-5(11)13/h2H,1H3,(H,10,13)/p-1.
What are the key properties of 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate has a molecular weight of 193.10 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate is sourced from PubChem (CID 22974786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).