5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

C15H10BrF4N5O — CID 59354696

IUPAC5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCOc1cc(F)cc(Nc2ncc(Br)c(-n3ccc(C(F)(F)F)n3)n2)c1
InChIInChI=1S/C15H10BrF4N5O/c1-26-10-5-8(17)4-9(6-10)22-14-21-7-11(16)13(23-14)25-3-2-12(24-25)15(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyYNGNQZLZALADSZ-UHFFFAOYSA-N
MW432.18 g/mol
LogP4.33
Rot. Bonds4

About 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 59354696) has the molecular formula C15H10BrF4N5O and a molecular weight of 432.18 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID59354696
Molecular FormulaC15H10BrF4N5O
Molecular Weight432.18 g/mol
Exact Mass431.00
IUPAC Name5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCOc1cc(F)cc(Nc2ncc(Br)c(-n3ccc(C(F)(F)F)n3)n2)c1
InChIInChI=1S/C15H10BrF4N5O/c1-26-10-5-8(17)4-9(6-10)22-14-21-7-11(16)13(23-14)25-3-2-12(24-25)15(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyYNGNQZLZALADSZ-UHFFFAOYSA-N
XLogP4.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-bromo-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]amino]benzamide
CID 59353209
methyl 5-[2-(3,5-dimethoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-imidazol-1-ylpyridine-3-carboxylate
CID 59353820
5-[2-(3,5-dimethoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 59353956
5-[2-(3,5-dimethoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 59353441
methyl 5-[2-(3-cyano-5-methoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylate
CID 68617978
ethyl 4-ethyl-5-[2-(3-methoxy-5-methylanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-oxo-1H-pyridine-3-carboxylate
CID 91181576
5-[2-(3,5-dimethoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 59353963
5-[2-(3,5-dimethoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 59353257
ethyl 5-[2-(3-methoxy-5-methylsulfonylanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-3-carboxylate
CID 59353840
3-[3-[2-(3-cyano-5-methoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]phenyl]prop-2-enoic acid
CID 68646670
N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
CID 133362348
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 59354245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 59354696) is 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is COc1cc(F)cc(Nc2ncc(Br)c(-n3ccc(C(F)(F)F)n3)n2)c1.
What is the InChIKey of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is YNGNQZLZALADSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF4N5O/c1-26-10-5-8(17)4-9(6-10)22-14-21-7-11(16)13(23-14)25-3-2-12(24-25)15(18,19)20/h2-7H,1H3,(H,21,22,23).
What are the key properties of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 432.18 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 59354696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).