4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one

C6H2F6N2O — CID 15525715

IUPAC4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C(F)(F)F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H2F6N2O/c7-5(8,9)2-1-3(6(10,11)12)14-4(15)13-2/h1H,(H,13,14,15)
InChIKeyJWPLYXFCYGZTEP-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.81
Rot. Bonds

About 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one

4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 15525715) has the molecular formula C6H2F6N2O and a molecular weight of 232.08 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID15525715
Molecular FormulaC6H2F6N2O
Molecular Weight232.08 g/mol
Exact Mass232.01
IUPAC Name4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C(F)(F)F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H2F6N2O/c7-5(8,9)2-1-3(6(10,11)12)14-4(15)13-2/h1H,(H,13,14,15)
InChIKeyJWPLYXFCYGZTEP-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one (CID 15525715) is 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(C(F)(F)F)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is JWPLYXFCYGZTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6N2O/c7-5(8,9)2-1-3(6(10,11)12)14-4(15)13-2/h1H,(H,13,14,15).
What are the key properties of 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one?
4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 232.08 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 15525715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).