4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one

C11H8F3N3O3 — CID 139976239

IUPAC4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)20-7-3-1-6(2-4-7)15-10-16-8(18)5-9(19)17-10/h1-5H,(H3,15,16,17,18,19)
InChIKeyPJQHOMFSPQGCFK-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.12
Rot. Bonds3

About 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one

4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one (PubChem CID 139976239) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
PubChem CID139976239
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)20-7-3-1-6(2-4-7)15-10-16-8(18)5-9(19)17-10/h1-5H,(H3,15,16,17,18,19)
InChIKeyPJQHOMFSPQGCFK-UHFFFAOYSA-N
XLogP2.12
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)anilino]-1H-pyrimidin-6-one
CID 139976279
4-[(4-hydroxy-6-oxo-(4,5,6-13C3)1H-pyrimidin-2-yl)amino]benzonitrile
CID 71316163
2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976467
2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976142
6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
CID 135561108
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
4-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]benzoic acid
CID 145066753
6-tert-butyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
CID 135561109
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone
CID 155001431
methyl 2-[methyl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazole-5-carbonyl]amino]acetate
CID 123680659
N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
CID 144901895

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one (CID 139976239) is 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one is O=c1cc(O)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1.
What is the InChIKey of 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one?
The InChIKey is PJQHOMFSPQGCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c12-11(13,14)20-7-3-1-6(2-4-7)15-10-16-8(18)5-9(19)17-10/h1-5H,(H3,15,16,17,18,19).
What are the key properties of 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one?
4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one has a molecular weight of 287.20 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one is sourced from PubChem (CID 139976239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).