4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C11H10BrFN4 — CID 80760549

IUPAC4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccccc2Br)n1
InChIInChI=1S/C11H10BrFN4/c1-14-11-15-6-8(13)10(17-11)16-9-5-3-2-4-7(9)12/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyAADMMCFIYQFKOY-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.16
Rot. Bonds3

About 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80760549) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80760549
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccccc2Br)n1
InChIInChI=1S/C11H10BrFN4/c1-14-11-15-6-8(13)10(17-11)16-9-5-3-2-4-7(9)12/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyAADMMCFIYQFKOY-UHFFFAOYSA-N
XLogP3.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-5-fluorophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107639327
4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80760837
5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824444
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
N-[2-[[5-fluoro-2-[2-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 22060597
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80760549) is 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(Nc2ccccc2Br)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is AADMMCFIYQFKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-14-11-15-6-8(13)10(17-11)16-9-5-3-2-4-7(9)12/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 297.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80760549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).