2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one

C5H5Br2N3O — CID 136935024

IUPAC2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one
SMILESNc1nc(CBr)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H5Br2N3O/c6-1-2-3(7)4(11)10-5(8)9-2/h1H2,(H3,8,9,10,11)
InChIKeyVOESEKAHCXPMDC-UHFFFAOYSA-N
MW282.92 g/mol
LogP1.01
Rot. Bonds1

About 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one

2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one (PubChem CID 136935024) has the molecular formula C5H5Br2N3O and a molecular weight of 282.92 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one
PubChem CID136935024
Molecular FormulaC5H5Br2N3O
Molecular Weight282.92 g/mol
Exact Mass280.88
IUPAC Name2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one
SMILESNc1nc(CBr)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H5Br2N3O/c6-1-2-3(7)4(11)10-5(8)9-2/h1H2,(H3,8,9,10,11)
InChIKeyVOESEKAHCXPMDC-UHFFFAOYSA-N
XLogP1.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.92
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one (CID 136935024) is 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one is Nc1nc(CBr)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one?
The InChIKey is VOESEKAHCXPMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2N3O/c6-1-2-3(7)4(11)10-5(8)9-2/h1H2,(H3,8,9,10,11).
What are the key properties of 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one has a molecular weight of 282.92 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136935024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).