5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one

C11H12BrN5O — CID 66310265

IUPAC5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2ccnc(NN)c2)c(=O)c1Br
InChIInChI=1S/C11H12BrN5O/c1-7-10(12)11(18)17(6-15-7)5-8-2-3-14-9(4-8)16-13/h2-4,6H,5,13H2,1H3,(H,14,16)
InChIKeyXFWVRSXNGAMODB-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.04
Rot. Bonds3

About 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one

5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one (PubChem CID 66310265) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one
PubChem CID66310265
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2ccnc(NN)c2)c(=O)c1Br
InChIInChI=1S/C11H12BrN5O/c1-7-10(12)11(18)17(6-15-7)5-8-2-3-14-9(4-8)16-13/h2-4,6H,5,13H2,1H3,(H,14,16)
InChIKeyXFWVRSXNGAMODB-UHFFFAOYSA-N
XLogP1.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.04
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one (CID 66310265) is 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one is Cc1ncn(Cc2ccnc(NN)c2)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is XFWVRSXNGAMODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-7-10(12)11(18)17(6-15-7)5-8-2-3-14-9(4-8)16-13/h2-4,6H,5,13H2,1H3,(H,14,16).
What are the key properties of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one?
5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 310.16 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 66310265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).