2-amino-5-bromo-1H-pyrimidin-6-one

C4H4BrN3O — CID 512016

IUPAC2-amino-5-bromo-1H-pyrimidin-6-one
SMILESNc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C4H4BrN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)
InChIKeyPDLZQTZTKDRRAP-UHFFFAOYSA-N
MW190.00 g/mol
LogP0.11
Rot. Bonds

About 2-amino-5-bromo-1H-pyrimidin-6-one

2-amino-5-bromo-1H-pyrimidin-6-one (PubChem CID 512016) has the molecular formula C4H4BrN3O and a molecular weight of 190.00 g/mol. Its IUPAC name is 2-amino-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-1H-pyrimidin-6-one
PubChem CID512016
Molecular FormulaC4H4BrN3O
Molecular Weight190.00 g/mol
Exact Mass188.95
IUPAC Name2-amino-5-bromo-1H-pyrimidin-6-one
SMILESNc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C4H4BrN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)
InChIKeyPDLZQTZTKDRRAP-UHFFFAOYSA-N
XLogP0.11
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoroisocytosine
CID 74310
5-Bromo-2-chloropyrimidin-4-ol
CID 11160114
N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 134858929
5-Bromo-2-(dimethylamino)pyrimidin-4(3H)-one
CID 15620533
5-bromo-2-(diethylamino)-1H-pyrimidin-6-one
CID 54279750
5-Bromo-4(3H)-pyrimidone Hydrobromide
CID 67218462
5-Bromo-2-(ethylamino)-3-methylpyrimidin-4-one
CID 168966508
2-Amino-5-bromo-3-methylpyrimidin-4-one
CID 170654512
2-Amino-5-bromopyrimidin-4-ol hydrobromide
CID 52987636
5-Bromo-2-methoxypyrimidin-4-ol
CID 53763055
5-Bromo-2-(methylamino)-3,4-dihydropyrimidin-4-one
CID 66315116
5-bromo-2-(propylamino)-1H-pyrimidin-6-one
CID 80866202

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-1H-pyrimidin-6-one (CID 512016) is 2-amino-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-1H-pyrimidin-6-one is Nc1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-1H-pyrimidin-6-one?
The InChIKey is PDLZQTZTKDRRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9).
What are the key properties of 2-amino-5-bromo-1H-pyrimidin-6-one?
2-amino-5-bromo-1H-pyrimidin-6-one has a molecular weight of 190.00 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 512016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).