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

C4H5Br2N3O — CID 52987636

IUPAC2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide
SMILESBr.Nc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C4H4BrN3O.BrH/c5-2-1-7-4(6)8-3(2)9;/h1H,(H3,6,7,8,9);1H
InChIKeyFBEVHQMVCKKOOY-UHFFFAOYSA-N
MW270.91 g/mol
LogP0.69
Rot. Bonds

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

2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide (PubChem CID 52987636) has the molecular formula C4H5Br2N3O and a molecular weight of 270.91 g/mol. Its IUPAC name is 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide.

Molecular Properties

Compound Name2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide
PubChem CID52987636
Molecular FormulaC4H5Br2N3O
Molecular Weight270.91 g/mol
Exact Mass268.88
IUPAC Name2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide
SMILESBr.Nc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C4H4BrN3O.BrH/c5-2-1-7-4(6)8-3(2)9;/h1H,(H3,6,7,8,9);1H
InChIKeyFBEVHQMVCKKOOY-UHFFFAOYSA-N
XLogP0.69
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.91
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-4(3H)-pyrimidinone
CID 512016
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
2-Amino-5-bromo-3-methylpyrimidin-4-one
CID 170654512
5-Bromo-2-(methylamino)-3,4-dihydropyrimidin-4-one
CID 66315116
5-bromo-2-(propylamino)-1H-pyrimidin-6-one
CID 80866202
5-bromo-2-(ethylamino)-1H-pyrimidin-6-one
CID 80866899
5-bromo-6-oxo-1H-pyrimidin-2-olate
CID 101136770
2-Amino-1,5-dihydropyrimidin-5-ylium-6-one
CID 101184479

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide?
The IUPAC name of 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide (CID 52987636) is 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide.
What is the SMILES notation for 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide?
The canonical SMILES for 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide is Br.Nc1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide?
The InChIKey is FBEVHQMVCKKOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3O.BrH/c5-2-1-7-4(6)8-3(2)9;/h1H,(H3,6,7,8,9);1H.
What are the key properties of 2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide?
2-amino-5-bromo-1H-pyrimidin-6-one;hydrobromide has a molecular weight of 270.91 g/mol, XLogP of 0.69, 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;hydrobromide is sourced from PubChem (CID 52987636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).