2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

C10H14F3N3O — CID 58845186

IUPAC2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H14F3N3O/c1-3-16(4-2)9-14-6-7(8(17)15-9)5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyXJEBHFLUPXQCKP-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.72
Rot. Bonds4

About 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 58845186) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID58845186
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H14F3N3O/c1-3-16(4-2)9-14-6-7(8(17)15-9)5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyXJEBHFLUPXQCKP-UHFFFAOYSA-N
XLogP1.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 58845186) is 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is CCN(CC)c1ncc(CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is XJEBHFLUPXQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-16(4-2)9-14-6-7(8(17)15-9)5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 249.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 58845186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).