5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine

C12H13BrFN5 — CID 80898833

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1nc(NN)ncc1Br
InChIInChI=1S/C12H13BrFN5/c1-19(7-8-2-4-9(14)5-3-8)11-10(13)6-16-12(17-11)18-15/h2-6H,7,15H2,1H3,(H,16,17,18)
InChIKeyUDILKSGZFRXQHT-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.30
Rot. Bonds4

About 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine

5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80898833) has the molecular formula C12H13BrFN5 and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80898833
Molecular FormulaC12H13BrFN5
Molecular Weight326.17 g/mol
Exact Mass325.03
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1nc(NN)ncc1Br
InChIInChI=1S/C12H13BrFN5/c1-19(7-8-2-4-9(14)5-3-8)11-10(13)6-16-12(17-11)18-15/h2-6H,7,15H2,1H3,(H,16,17,18)
InChIKeyUDILKSGZFRXQHT-UHFFFAOYSA-N
XLogP2.30
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.30
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (CID 80898833) is 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is CN(Cc1ccc(F)cc1)c1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is UDILKSGZFRXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN5/c1-19(7-8-2-4-9(14)5-3-8)11-10(13)6-16-12(17-11)18-15/h2-6H,7,15H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 326.17 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80898833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).