2-(6-amino-2-bromopyrimidin-4-yl)acetic acid

C6H6BrN3O2 — CID 83852589

IUPAC2-(6-amino-2-bromopyrimidin-4-yl)acetic acid
SMILESNc1cc(CC(=O)O)nc(Br)n1
InChIInChI=1S/C6H6BrN3O2/c7-6-9-3(2-5(11)12)1-4(8)10-6/h1H,2H2,(H,11,12)(H2,8,9,10)
InChIKeyDGXVVBXWTGIXAV-UHFFFAOYSA-N
MW232.04 g/mol
LogP0.45
Rot. Bonds2

About 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid

2-(6-amino-2-bromopyrimidin-4-yl)acetic acid (PubChem CID 83852589) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-2-bromopyrimidin-4-yl)acetic acid
PubChem CID83852589
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Name2-(6-amino-2-bromopyrimidin-4-yl)acetic acid
SMILESNc1cc(CC(=O)O)nc(Br)n1
InChIInChI=1S/C6H6BrN3O2/c7-6-9-3(2-5(11)12)1-4(8)10-6/h1H,2H2,(H,11,12)(H2,8,9,10)
InChIKeyDGXVVBXWTGIXAV-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-2-bromopyrimidin-4-amine
CID 83852139
2-(2-bromo-6-tert-butylpyrimidin-4-yl)acetic acid
CID 83852916
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852863
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83864259
2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 83852579
2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
CID 83852901
2-[6-bromo-2-(dimethylamino)pyrimidin-4-yl]acetic acid
CID 83852877
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-(6-ethynyl-2-methylpyrimidin-4-yl)acetic acid
CID 174602703

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid (CID 83852589) is 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid is Nc1cc(CC(=O)O)nc(Br)n1.
What is the InChIKey of 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid?
The InChIKey is DGXVVBXWTGIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c7-6-9-3(2-5(11)12)1-4(8)10-6/h1H,2H2,(H,11,12)(H2,8,9,10).
What are the key properties of 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid?
2-(6-amino-2-bromopyrimidin-4-yl)acetic acid has a molecular weight of 232.04 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-bromopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).