2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid

C10H14BrN3O4 — CID 121437344

IUPAC2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCN(C)CCn1c(=O)c(Br)cn(CC(=O)O)c1=O
InChIInChI=1S/C10H14BrN3O4/c1-12(2)3-4-14-9(17)7(11)5-13(10(14)18)6-8(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyMOWAMRGLLAQYGI-UHFFFAOYSA-N
MW320.14 g/mol
LogP-0.58
Rot. Bonds5

About 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid

2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid (PubChem CID 121437344) has the molecular formula C10H14BrN3O4 and a molecular weight of 320.14 g/mol. Its IUPAC name is 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid
PubChem CID121437344
Molecular FormulaC10H14BrN3O4
Molecular Weight320.14 g/mol
Exact Mass319.02
IUPAC Name2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCN(C)CCn1c(=O)c(Br)cn(CC(=O)O)c1=O
InChIInChI=1S/C10H14BrN3O4/c1-12(2)3-4-14-9(17)7(11)5-13(10(14)18)6-8(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyMOWAMRGLLAQYGI-UHFFFAOYSA-N
XLogP-0.58
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid (CID 121437344) is 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid is CN(C)CCn1c(=O)c(Br)cn(CC(=O)O)c1=O.
What is the InChIKey of 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid?
The InChIKey is MOWAMRGLLAQYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O4/c1-12(2)3-4-14-9(17)7(11)5-13(10(14)18)6-8(15)16/h5H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid?
2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid has a molecular weight of 320.14 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 121437344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).