2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

C14H10F7N3O — CID 22406440

IUPAC2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCN(c1cccc(C(F)(F)F)c1F)c1nc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C14H10F7N3O/c1-23(8-5-3-4-7(11(8)15)13(16,17)18)12-22-9(14(19,20)21)6-10(25)24(12)2/h3-6H,1-2H3
InChIKeyDNICZFIFZUGUDN-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.72
Rot. Bonds2

About 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 22406440) has the molecular formula C14H10F7N3O and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID22406440
Molecular FormulaC14H10F7N3O
Molecular Weight369.24 g/mol
Exact Mass369.07
IUPAC Name2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCN(c1cccc(C(F)(F)F)c1F)c1nc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C14H10F7N3O/c1-23(8-5-3-4-7(11(8)15)13(16,17)18)12-22-9(14(19,20)21)6-10(25)24(12)2/h3-6H,1-2H3
InChIKeyDNICZFIFZUGUDN-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 138756307
ethyl 2-[2-bromo-N-[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]-3,5-bis(trifluoromethyl)anilino]-2-ethoxyacetate
CID 139934359
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 1486653
7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170588235
bis[3-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyridinyl]methanone
CID 3015810
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
CID 54578090
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
[2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)-3-pyridinyl]methanesulfonic acid
CID 139891634
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 146567148
CID 71466931
CID 71466931

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (CID 22406440) is 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is CN(c1cccc(C(F)(F)F)c1F)c1nc(C(F)(F)F)cc(=O)n1C.
What is the InChIKey of 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is DNICZFIFZUGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F7N3O/c1-23(8-5-3-4-7(11(8)15)13(16,17)18)12-22-9(14(19,20)21)6-10(25)24(12)2/h3-6H,1-2H3.
What are the key properties of 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 369.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-N-methyl-3-(trifluoromethyl)anilino]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 22406440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).