2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid

C7H8BrN3O3 — CID 82666286

IUPAC2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1nc(N)n(CC(=O)O)c(=O)c1Br
InChIInChI=1S/C7H8BrN3O3/c1-3-5(8)6(14)11(2-4(12)13)7(9)10-3/h2H2,1H3,(H2,9,10)(H,12,13)
InChIKeyZJAGQQDWGJICFE-UHFFFAOYSA-N
MW262.06 g/mol
LogP-0.02
Rot. Bonds2

About 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid

2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 82666286) has the molecular formula C7H8BrN3O3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID82666286
Molecular FormulaC7H8BrN3O3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1nc(N)n(CC(=O)O)c(=O)c1Br
InChIInChI=1S/C7H8BrN3O3/c1-3-5(8)6(14)11(2-4(12)13)7(9)10-3/h2H2,1H3,(H2,9,10)(H,12,13)
InChIKeyZJAGQQDWGJICFE-UHFFFAOYSA-N
XLogP-0.02
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid (CID 82666286) is 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid is Cc1nc(N)n(CC(=O)O)c(=O)c1Br.
What is the InChIKey of 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is ZJAGQQDWGJICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O3/c1-3-5(8)6(14)11(2-4(12)13)7(9)10-3/h2H2,1H3,(H2,9,10)(H,12,13).
What are the key properties of 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 262.06 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 82666286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).