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

C11H8F3N3O — CID 135727209

IUPAC2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-6-9(18)17-10(16-8)15-7-4-2-1-3-5-7/h1-6H,(H2,15,16,17,18)
InChIKeyJOHZVKVOKACSTI-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.53
Rot. Bonds2

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

2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135727209) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135727209
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-6-9(18)17-10(16-8)15-7-4-2-1-3-5-7/h1-6H,(H2,15,16,17,18)
InChIKeyJOHZVKVOKACSTI-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
2-[(3-bromophenyl)amino]-6-methyl-4(3H)-pyrimidinone
CID 135459599
2-{[4-(dimethylamino)phenyl]amino}-6-methyl-4(3H)-pyrimidinone
CID 135459603
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
N-(2,6-difluorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
CID 135473113
2-[({[4-(Difluoromethylthio)phenyl]amino}iminomethyl)amino]-6-methylpyrimidin-4-ol
CID 135519904
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
3-phenyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone
CID 1480541

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135727209) is 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is JOHZVKVOKACSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-6-9(18)17-10(16-8)15-7-4-2-1-3-5-7/h1-6H,(H2,15,16,17,18).
What are the key properties of 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 255.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135727209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).