6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine

C16H19BrFN3 — CID 106646829

IUPAC6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cccc(Br)c2F)c1C
InChIInChI=1S/C16H19BrFN3/c1-9-13(10-7-6-8-11(17)12(10)18)20-15(16(2,3)4)21-14(9)19-5/h6-8H,1-5H3,(H,19,20,21)
InChIKeyNPUOYYISNYQBJL-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.69
Rot. Bonds2

About 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine

6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 106646829) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
PubChem CID106646829
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cccc(Br)c2F)c1C
InChIInChI=1S/C16H19BrFN3/c1-9-13(10-7-6-8-11(17)12(10)18)20-15(16(2,3)4)21-14(9)19-5/h6-8H,1-5H3,(H,19,20,21)
InChIKeyNPUOYYISNYQBJL-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80977836
2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80977138
2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
CID 80977116
2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978583
2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80974807
6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 106646843
3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106650668
2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977826
4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine
CID 115375469
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992230
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine (CID 106646829) is 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(-c2cccc(Br)c2F)c1C.
What is the InChIKey of 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is NPUOYYISNYQBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-9-13(10-7-6-8-11(17)12(10)18)20-15(16(2,3)4)21-14(9)19-5/h6-8H,1-5H3,(H,19,20,21).
What are the key properties of 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine?
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 352.25 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 106646829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).