4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine

C11H12BrFN6 — CID 107594483

IUPAC4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCc1cc(F)c(Br)cc1Nc1cc(NN)nc(N)n1
InChIInChI=1S/C11H12BrFN6/c1-5-2-7(13)6(12)3-8(5)16-9-4-10(19-15)18-11(14)17-9/h2-4H,15H2,1H3,(H4,14,16,17,18,19)
InChIKeyNUSYFMGNMLFWDP-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.30
Rot. Bonds3

About 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 107594483) has the molecular formula C11H12BrFN6 and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID107594483
Molecular FormulaC11H12BrFN6
Molecular Weight327.16 g/mol
Exact Mass326.03
IUPAC Name4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCc1cc(F)c(Br)cc1Nc1cc(NN)nc(N)n1
InChIInChI=1S/C11H12BrFN6/c1-5-2-7(13)6(12)3-8(5)16-9-4-10(19-15)18-11(14)17-9/h2-4H,15H2,1H3,(H4,14,16,17,18,19)
InChIKeyNUSYFMGNMLFWDP-UHFFFAOYSA-N
XLogP2.30
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 102855651
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 107593354
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 107593334
3-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80908717
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
CID 102855667

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 107594483) is 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine is Cc1cc(F)c(Br)cc1Nc1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is NUSYFMGNMLFWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN6/c1-5-2-7(13)6(12)3-8(5)16-9-4-10(19-15)18-11(14)17-9/h2-4H,15H2,1H3,(H4,14,16,17,18,19).
What are the key properties of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 327.16 g/mol, XLogP of 2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 107594483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).