2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one

C8H6BrN3O2 — CID 117260610

IUPAC2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccc(Br)o2)c(=O)[nH]1
InChIInChI=1S/C8H6BrN3O2/c9-6-2-1-5(14-6)4-3-11-8(10)12-7(4)13/h1-3H,(H3,10,11,12,13)
InChIKeyJBUSTOOBZDTEJO-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.37
Rot. Bonds1

About 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one

2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 117260610) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
PubChem CID117260610
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccc(Br)o2)c(=O)[nH]1
InChIInChI=1S/C8H6BrN3O2/c9-6-2-1-5(14-6)4-3-11-8(10)12-7(4)13/h1-3H,(H3,10,11,12,13)
InChIKeyJBUSTOOBZDTEJO-UHFFFAOYSA-N
XLogP1.37
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 57283672
2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 117260612
2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
CID 133054025
2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 117260743
5-(5-bromofuran-2-yl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 104653876
5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 104653877
5-(5-bromofuran-2-yl)-1H-pyrazol-3-amine
CID 24702930
4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole
CID 156779682
3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine
CID 81042713
2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 63611922
methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate
CID 62278381

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one (CID 117260610) is 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one is Nc1ncc(-c2ccc(Br)o2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is JBUSTOOBZDTEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-6-2-1-5(14-6)4-3-11-8(10)12-7(4)13/h1-3H,(H3,10,11,12,13).
What are the key properties of 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one?
2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 256.06 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 117260610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).