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

C10H10BrN5O — CID 66310429

IUPAC5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one
SMILESNNc1cc(Cn2cncc(Br)c2=O)ccn1
InChIInChI=1S/C10H10BrN5O/c11-8-4-13-6-16(10(8)17)5-7-1-2-14-9(3-7)15-12/h1-4,6H,5,12H2,(H,14,15)
InChIKeyDMTFEHIPRIUVGT-UHFFFAOYSA-N
MW296.13 g/mol
LogP0.73
Rot. Bonds3

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

5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one (PubChem CID 66310429) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one
PubChem CID66310429
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one
SMILESNNc1cc(Cn2cncc(Br)c2=O)ccn1
InChIInChI=1S/C10H10BrN5O/c11-8-4-13-6-16(10(8)17)5-7-1-2-14-9(3-7)15-12/h1-4,6H,5,12H2,(H,14,15)
InChIKeyDMTFEHIPRIUVGT-UHFFFAOYSA-N
XLogP0.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 50.73
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]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one (CID 66310429) is 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one is NNc1cc(Cn2cncc(Br)c2=O)ccn1.
What is the InChIKey of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one?
The InChIKey is DMTFEHIPRIUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c11-8-4-13-6-16(10(8)17)5-7-1-2-14-9(3-7)15-12/h1-4,6H,5,12H2,(H,14,15).
What are the key properties of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one?
5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one has a molecular weight of 296.13 g/mol, XLogP of 0.73, 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]pyrimidin-4-one is sourced from PubChem (CID 66310429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).