2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid

C10H7BrN2O4 — CID 121205718

IUPAC2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1cnc(-c2ccc(Br)o2)cc1=O
InChIInChI=1S/C10H7BrN2O4/c11-8-2-1-7(17-8)6-3-9(14)13(5-12-6)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyLYJRYEACFGSABB-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.35
Rot. Bonds3

About 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid

2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid (PubChem CID 121205718) has the molecular formula C10H7BrN2O4 and a molecular weight of 299.08 g/mol. Its IUPAC name is 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid
PubChem CID121205718
Molecular FormulaC10H7BrN2O4
Molecular Weight299.08 g/mol
Exact Mass297.96
IUPAC Name2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1cnc(-c2ccc(Br)o2)cc1=O
InChIInChI=1S/C10H7BrN2O4/c11-8-2-1-7(17-8)6-3-9(14)13(5-12-6)4-10(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyLYJRYEACFGSABB-UHFFFAOYSA-N
XLogP1.35
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid
CID 121205734
4-bromo-6-(5-bromofuran-2-yl)pyrimidine
CID 121205669
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127210
[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol
CID 115092903
N-ethyl-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 121090622
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide
CID 3757284
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061401
3-(5-bromofuran-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 104653663
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
3-[2-(5-bromofuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115091320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid (CID 121205718) is 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid is O=C(O)Cn1cnc(-c2ccc(Br)o2)cc1=O.
What is the InChIKey of 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid?
The InChIKey is LYJRYEACFGSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4/c11-8-2-1-7(17-8)6-3-9(14)13(5-12-6)4-10(15)16/h1-3,5H,4H2,(H,15,16).
What are the key properties of 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid?
2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid has a molecular weight of 299.08 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 121205718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).