2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid

C8H7BrN4O2 — CID 84712829

IUPAC2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2c(Br)cncn12
InChIInChI=1S/C8H7BrN4O2/c9-4-1-11-3-13-5(2-12-7(4)13)6(10)8(14)15/h1-3,6H,10H2,(H,14,15)
InChIKeyDJZSNZMANBXXLD-UHFFFAOYSA-N
MW271.07 g/mol
LogP0.58
Rot. Bonds2

About 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid

2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid (PubChem CID 84712829) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid
PubChem CID84712829
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cnc2c(Br)cncn12
InChIInChI=1S/C8H7BrN4O2/c9-4-1-11-3-13-5(2-12-7(4)13)6(10)8(14)15/h1-3,6H,10H2,(H,14,15)
InChIKeyDJZSNZMANBXXLD-UHFFFAOYSA-N
XLogP0.58
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid (CID 84712829) is 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid is NC(C(=O)O)c1cnc2c(Br)cncn12.
What is the InChIKey of 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid?
The InChIKey is DJZSNZMANBXXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c9-4-1-11-3-13-5(2-12-7(4)13)6(10)8(14)15/h1-3,6H,10H2,(H,14,15).
What are the key properties of 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid?
2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid has a molecular weight of 271.07 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(8-bromoimidazo[1,2-c]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 84712829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).