4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H11BrF3N5 — CID 114566088

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-n2nc(C)c(Br)c2C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11BrF3N5/c1-5-9(12)6(2)20(19-5)8-4-7(11(13,14)15)17-10(16-3)18-8/h4H,1-3H3,(H,16,17,18)
InChIKeyHXKRODMXYQAWLI-UHFFFAOYSA-N
MW350.14 g/mol
LogP3.10
Rot. Bonds2

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566088) has the molecular formula C11H11BrF3N5 and a molecular weight of 350.14 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566088
Molecular FormulaC11H11BrF3N5
Molecular Weight350.14 g/mol
Exact Mass349.01
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-n2nc(C)c(Br)c2C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11BrF3N5/c1-5-9(12)6(2)20(19-5)8-4-7(11(13,14)15)17-10(16-3)18-8/h4H,1-3H3,(H,16,17,18)
InChIKeyHXKRODMXYQAWLI-UHFFFAOYSA-N
XLogP3.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566076
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716266
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900536
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80856782
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732974
6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
CID 80856780
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
CID 114565375
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374
4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
CID 65485777
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80857888

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566088) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(-n2nc(C)c(Br)c2C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HXKRODMXYQAWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N5/c1-5-9(12)6(2)20(19-5)8-4-7(11(13,14)15)17-10(16-3)18-8/h4H,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 350.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).