N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

C11H11BrFN5 — CID 107639608

IUPACN-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C11H11BrFN5/c1-6-15-10(5-11(16-6)18-14)17-9-4-7(13)2-3-8(9)12/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeySJIAMNRZIMZFRB-UHFFFAOYSA-N
MW312.15 g/mol
LogP2.72
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 107639608) has the molecular formula C11H11BrFN5 and a molecular weight of 312.15 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID107639608
Molecular FormulaC11H11BrFN5
Molecular Weight312.15 g/mol
Exact Mass311.02
IUPAC NameN-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C11H11BrFN5/c1-6-15-10(5-11(16-6)18-14)17-9-4-7(13)2-3-8(9)12/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeySJIAMNRZIMZFRB-UHFFFAOYSA-N
XLogP2.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80920057
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102721054
4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 82759241
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80755574
6-bromo-N-(2-bromo-5-fluorophenyl)pyridin-2-amine
CID 107637214
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107639591
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107637179
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 107924057
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 107639608) is N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(Nc2cc(F)ccc2Br)n1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is SJIAMNRZIMZFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN5/c1-6-15-10(5-11(16-6)18-14)17-9-4-7(13)2-3-8(9)12/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 312.15 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 107639608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).