4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine

C12H11BrF2N4 — CID 80846756

IUPAC4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C12H11BrF2N4/c1-6-5-17-12(16-2)19-11(6)18-10-8(14)3-7(13)4-9(10)15/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyFTRHWQSXSBNCFA-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.61
Rot. Bonds3

About 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80846756) has the molecular formula C12H11BrF2N4 and a molecular weight of 329.15 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80846756
Molecular FormulaC12H11BrF2N4
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C12H11BrF2N4/c1-6-5-17-12(16-2)19-11(6)18-10-8(14)3-7(13)4-9(10)15/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyFTRHWQSXSBNCFA-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80930862
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800229
5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
5-bromo-2-N-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825733
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 114157091
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
3-bromo-4-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795234
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107581065
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80821596
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80846756) is 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(Nc2c(F)cc(Br)cc2F)n1.
What is the InChIKey of 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is FTRHWQSXSBNCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N4/c1-6-5-17-12(16-2)19-11(6)18-10-8(14)3-7(13)4-9(10)15/h3-5H,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 329.15 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80846756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).