2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid

C6H5BrN2O4 — CID 82665183

IUPAC2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C6H5BrN2O4/c7-4-2(1-3(10)11)8-6(13)9-5(4)12/h1H2,(H,10,11)(H2,8,9,12,13)
InChIKeyUSJZFYYUVQRNLN-UHFFFAOYSA-N
MW249.02 g/mol
LogP-0.55
Rot. Bonds2

About 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid

2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 82665183) has the molecular formula C6H5BrN2O4 and a molecular weight of 249.02 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID82665183
Molecular FormulaC6H5BrN2O4
Molecular Weight249.02 g/mol
Exact Mass247.94
IUPAC Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C6H5BrN2O4/c7-4-2(1-3(10)11)8-6(13)9-5(4)12/h1H2,(H,10,11)(H2,8,9,12,13)
InChIKeyUSJZFYYUVQRNLN-UHFFFAOYSA-N
XLogP-0.55
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.02
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Uracil-4-acetic acid
CID 73271
2-(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)acetic acid, oxamethane
CID 18529801
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 70284120
2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 83482974
3-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 83866858
5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
CID 83866877
2-(5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 83867958

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (CID 82665183) is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is O=C(O)Cc1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is USJZFYYUVQRNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O4/c7-4-2(1-3(10)11)8-6(13)9-5(4)12/h1H2,(H,10,11)(H2,8,9,12,13).
What are the key properties of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 249.02 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 82665183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).