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

C15H17BrFN3 — CID 66424292

IUPAC2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C15H17BrFN3/c1-15(2,3)12-8-13(18-4)20-14(19-12)9-5-10(16)7-11(17)6-9/h5-8H,1-4H3,(H,18,19,20)
InChIKeyGRSXCKKQAAVYGT-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.38
Rot. Bonds2

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

2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine (PubChem CID 66424292) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
PubChem CID66424292
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C15H17BrFN3/c1-15(2,3)12-8-13(18-4)20-14(19-12)9-5-10(16)7-11(17)6-9/h5-8H,1-4H3,(H,18,19,20)
InChIKeyGRSXCKKQAAVYGT-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66424293
2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 55193463
6-tert-butyl-2-(3,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63486811
2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 105410378
6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 55045442
[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62252562
2-(3-bromo-5-fluorophenyl)-4,6-dichloropyrimidine
CID 66423622
2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66424690
2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66423893
6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 62203294
6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine
CID 114488664
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine (CID 66424292) is 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2cc(F)cc(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The InChIKey is GRSXCKKQAAVYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-15(2,3)12-8-13(18-4)20-14(19-12)9-5-10(16)7-11(17)6-9/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine has a molecular weight of 338.22 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66424292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).