6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid

C13H8BrN3O2 — CID 113303483

IUPAC6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2ncc(Br)cn12
InChIInChI=1S/C13H8BrN3O2/c14-9-6-15-13-16-10(8-4-2-1-3-5-8)11(12(18)19)17(13)7-9/h1-7H,(H,18,19)
InChIKeyAEALDCUXTGSVGO-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.86
Rot. Bonds2

About 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid

6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 113303483) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID113303483
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2ncc(Br)cn12
InChIInChI=1S/C13H8BrN3O2/c14-9-6-15-13-16-10(8-4-2-1-3-5-8)11(12(18)19)17(13)7-9/h1-7H,(H,18,19)
InChIKeyAEALDCUXTGSVGO-UHFFFAOYSA-N
XLogP2.86
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide
CID 122392307
3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 50907699
2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 83844753
6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
CID 115404592
2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83844831
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 82288178
7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120508
2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54980142
12-bromo-5-thia-10,14,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 113303376

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 113303483) is 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)nc2ncc(Br)cn12.
What is the InChIKey of 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is AEALDCUXTGSVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-9-6-15-13-16-10(8-4-2-1-3-5-8)11(12(18)19)17(13)7-9/h1-7H,(H,18,19).
What are the key properties of 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 318.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 113303483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).