3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one

C14H9F6N3O2 — CID 139907545

IUPAC3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(Nc2ccc(OC(F)(F)F)cc2)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C14H9F6N3O2/c1-2-23-11(24)7-10(13(15,16)17)22-12(23)21-8-3-5-9(6-4-8)25-14(18,19)20/h2-7H,1H2,(H,21,22)
InChIKeyVOKSBNRSIDNMMQ-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.00
Rot. Bonds4

About 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one

3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 139907545) has the molecular formula C14H9F6N3O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID139907545
Molecular FormulaC14H9F6N3O2
Molecular Weight365.23 g/mol
Exact Mass365.06
IUPAC Name3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(Nc2ccc(OC(F)(F)F)cc2)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C14H9F6N3O2/c1-2-23-11(24)7-10(13(15,16)17)22-12(23)21-8-3-5-9(6-4-8)25-14(18,19)20/h2-7H,1H2,(H,21,22)
InChIKeyVOKSBNRSIDNMMQ-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
2-[2-chloro-6-nitro-4-(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907600
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 155541028
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
1,6-dimethyl-2-[4-(trifluoromethoxy)anilino]benzimidazole-5-carboxylic acid
CID 144901775
4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
CID 139976239
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155451100
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557392
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one (CID 139907545) is 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one is C=Cn1c(Nc2ccc(OC(F)(F)F)cc2)nc(C(F)(F)F)cc1=O.
What is the InChIKey of 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is VOKSBNRSIDNMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O2/c1-2-23-11(24)7-10(13(15,16)17)22-12(23)21-8-3-5-9(6-4-8)25-14(18,19)20/h2-7H,1H2,(H,21,22).
What are the key properties of 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one?
3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 365.23 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 139907545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).