4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

C10H11BrFN5 — CID 80856782

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C10H11BrFN5/c1-5-8(11)6(2)17(16-5)9-7(12)4-14-10(13-3)15-9/h4H,1-3H3,(H,13,14,15)
InChIKeySVKMUGZGLHZLQK-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.22
Rot. Bonds2

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80856782) has the molecular formula C10H11BrFN5 and a molecular weight of 300.14 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80856782
Molecular FormulaC10H11BrFN5
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C10H11BrFN5/c1-5-8(11)6(2)17(16-5)9-7(12)4-14-10(13-3)15-9/h4H,1-3H3,(H,13,14,15)
InChIKeySVKMUGZGLHZLQK-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80857888
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566088
5-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80857185
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80901964
4-(3-cyclopropylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80857928
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80853428
8-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846696
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105390531

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80856782) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(-n2nc(C)c(Br)c2C)n1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is SVKMUGZGLHZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN5/c1-5-8(11)6(2)17(16-5)9-7(12)4-14-10(13-3)15-9/h4H,1-3H3,(H,13,14,15).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 300.14 g/mol, XLogP of 2.22, 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)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80856782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).