N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

C11H11BrFN5 — CID 104782098

IUPACN-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H11BrFN5/c1-6-15-10(5-11(16-6)18-14)17-7-2-3-9(13)8(12)4-7/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyHSJCCAGMKNWTLZ-UHFFFAOYSA-N
MW312.15 g/mol
LogP2.72
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 104782098) has the molecular formula C11H11BrFN5 and a molecular weight of 312.15 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID104782098
Molecular FormulaC11H11BrFN5
Molecular Weight312.15 g/mol
Exact Mass311.02
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H11BrFN5/c1-6-15-10(5-11(16-6)18-14)17-7-2-3-9(13)8(12)4-7/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyHSJCCAGMKNWTLZ-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-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
2-bromo-4-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 112736248
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
CID 114766617
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 107639608
6-hydrazinyl-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80919814
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80927045
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401888

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 104782098) is N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(Nc2ccc(F)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is HSJCCAGMKNWTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN5/c1-6-15-10(5-11(16-6)18-14)17-7-2-3-9(13)8(12)4-7/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 104782098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).