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

C6H2F6N2O — CID 135408608

IUPAC2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H2F6N2O/c7-5(8,9)2-1-3(15)14-4(13-2)6(10,11)12/h1H,(H,13,14,15)
InChIKeyCQGVQUGHJJPUPQ-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.81
Rot. Bonds

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

2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135408608) has the molecular formula C6H2F6N2O and a molecular weight of 232.08 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135408608
Molecular FormulaC6H2F6N2O
Molecular Weight232.08 g/mol
Exact Mass232.01
IUPAC Name2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H2F6N2O/c7-5(8,9)2-1-3(15)14-4(13-2)6(10,11)12/h1H,(H,13,14,15)
InChIKeyCQGVQUGHJJPUPQ-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 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one (CID 135408608) is 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(C(F)(F)F)[nH]1.
What is the InChIKey of 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is CQGVQUGHJJPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6N2O/c7-5(8,9)2-1-3(15)14-4(13-2)6(10,11)12/h1H,(H,13,14,15).
What are the key properties of 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one?
2,4-bis(trifluoromethyl)-1H-pyrimidin-6-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 2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).