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

C11H12BrN5O — CID 66309889

IUPAC5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1ccnc(NN)c1
InChIInChI=1S/C11H12BrN5O/c1-7-15-5-9(12)11(18)17(7)6-8-2-3-14-10(4-8)16-13/h2-5H,6,13H2,1H3,(H,14,16)
InChIKeyUFCHODZOFGZDPE-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.04
Rot. Bonds3

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

5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one (PubChem CID 66309889) 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]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one
PubChem CID66309889
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1ccnc(NN)c1
InChIInChI=1S/C11H12BrN5O/c1-7-15-5-9(12)11(18)17(7)6-8-2-3-14-10(4-8)16-13/h2-5H,6,13H2,1H3,(H,14,16)
InChIKeyUFCHODZOFGZDPE-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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Related Compounds

5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one
CID 66310429
3-[(4-aminophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66310702
5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 66310265
3-[[2-(ethylamino)-4-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342277
3-[(3-amino-4-methoxyphenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66308369
2-[(2-hydrazinyl-4-pyridinyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271650
3-[(2-amino-4-fluorophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66308999
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methylpyridin-2-one
CID 62961783
5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one
CID 80664522
5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one
CID 66310513
5-bromo-2-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 66307969
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941401

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one (CID 66309889) is 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one is Cc1ncc(Br)c(=O)n1Cc1ccnc(NN)c1.
What is the InChIKey of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one?
The InChIKey is UFCHODZOFGZDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-7-15-5-9(12)11(18)17(7)6-8-2-3-14-10(4-8)16-13/h2-5H,6,13H2,1H3,(H,14,16).
What are the key properties of 5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-methylpyrimidin-4-one?
5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-2-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]-2-methylpyrimidin-4-one is sourced from PubChem (CID 66309889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).