2-amino-2-(5-bromopyrimidin-4-yl)acetic acid

C6H6BrN3O2 — CID 83895013

IUPAC2-amino-2-(5-bromopyrimidin-4-yl)acetic acid
SMILESNC(C(=O)O)c1ncncc1Br
InChIInChI=1S/C6H6BrN3O2/c7-3-1-9-2-10-5(3)4(8)6(11)12/h1-2,4H,8H2,(H,11,12)
InChIKeyQWXXOTHNONNPEJ-UHFFFAOYSA-N
MW232.04 g/mol
LogP0.32
Rot. Bonds2

About 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid

2-amino-2-(5-bromopyrimidin-4-yl)acetic acid (PubChem CID 83895013) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromopyrimidin-4-yl)acetic acid
PubChem CID83895013
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Name2-amino-2-(5-bromopyrimidin-4-yl)acetic acid
SMILESNC(C(=O)O)c1ncncc1Br
InChIInChI=1S/C6H6BrN3O2/c7-3-1-9-2-10-5(3)4(8)6(11)12/h1-2,4H,8H2,(H,11,12)
InChIKeyQWXXOTHNONNPEJ-UHFFFAOYSA-N
XLogP0.32
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid (CID 83895013) is 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid is NC(C(=O)O)c1ncncc1Br.
What is the InChIKey of 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid?
The InChIKey is QWXXOTHNONNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c7-3-1-9-2-10-5(3)4(8)6(11)12/h1-2,4H,8H2,(H,11,12).
What are the key properties of 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid?
2-amino-2-(5-bromopyrimidin-4-yl)acetic acid has a molecular weight of 232.04 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).