4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine

C10H8BrFN4 — CID 80843375

IUPAC4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C10H8BrFN4/c11-7-2-1-6(5-8(7)12)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyWJEJTSSBJQVQCA-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.70
Rot. Bonds2

About 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine

4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80843375) has the molecular formula C10H8BrFN4 and a molecular weight of 283.10 g/mol. Its IUPAC name is 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID80843375
Molecular FormulaC10H8BrFN4
Molecular Weight283.10 g/mol
Exact Mass281.99
IUPAC Name4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C10H8BrFN4/c11-7-2-1-6(5-8(7)12)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyWJEJTSSBJQVQCA-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
CID 143557243
2-(4-bromo-3-fluoroanilino)pyridine-4-carbothioamide
CID 65437746
4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
CID 58393152
4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 80761249
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
4-N-[4-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl]pyrimidine-2,4-diamine
CID 59740982
2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol
CID 91537514
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine (CID 80843375) is 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine is Nc1nccc(Nc2ccc(Br)c(F)c2)n1.
What is the InChIKey of 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WJEJTSSBJQVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4/c11-7-2-1-6(5-8(7)12)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16).
What are the key properties of 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine?
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 283.10 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80843375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).