4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one

C13H12F3N3O — CID 136779267

IUPAC4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3O/c1-2-9-7-11(20)19-12(17-9)18-10-5-3-8(4-6-10)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19,20)
InChIKeyWDKJOVSPPGXLDO-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.09
Rot. Bonds3

About 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one

4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one (PubChem CID 136779267) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
PubChem CID136779267
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3O/c1-2-9-7-11(20)19-12(17-9)18-10-5-3-8(4-6-10)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19,20)
InChIKeyWDKJOVSPPGXLDO-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
CID 136683576
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
2-(4-ethylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778681
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 136684499
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
2-[2-chloro-5-(trifluoromethyl)anilino]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741543
2-(4-bromoanilino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741309
2-(4-anilinoanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778990
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835
2-(4-methoxyanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778650

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one (CID 136779267) is 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
The InChIKey is WDKJOVSPPGXLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-9-7-11(20)19-12(17-9)18-10-5-3-8(4-6-10)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one has a molecular weight of 283.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136779267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).