4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol

C10H12BrN3O2 — CID 171892192

IUPAC4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol
SMILESOC(CCBr)C(O)c1cnc2ncccn12
InChIInChI=1S/C10H12BrN3O2/c11-3-2-8(15)9(16)7-6-13-10-12-4-1-5-14(7)10/h1,4-6,8-9,15-16H,2-3H2
InChIKeyJQABQGLQIPSAHN-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.91
Rot. Bonds4

About 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol

4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol (PubChem CID 171892192) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol.

Molecular Properties

Compound Name4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol
PubChem CID171892192
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol
SMILESOC(CCBr)C(O)c1cnc2ncccn12
InChIInChI=1S/C10H12BrN3O2/c11-3-2-8(15)9(16)7-6-13-10-12-4-1-5-14(7)10/h1,4-6,8-9,15-16H,2-3H2
InChIKeyJQABQGLQIPSAHN-UHFFFAOYSA-N
XLogP0.91
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 3,4-dihydroxy-4-imidazo[1,2-a]pyrimidin-3-ylbutanoate
CID 171895773
4-bromo-1-(3-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171891513
4-bromo-1-(2-bromo-3-pyridinyl)butane-1,2-diol
CID 171893069
3-chloroimidazo[1,2-a]pyrimidine
CID 15179743
imidazo[1,2-a]pyrimidin-3-ylboronic acid
CID 57416413
N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine
CID 115747108
2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
CID 166942027
4-bromo-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171891448
3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutanamide
CID 171899335
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
CID 171891478
4-bromo-1-[2-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171892373

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol?
The IUPAC name of 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol (CID 171892192) is 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol.
What is the SMILES notation for 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol?
The canonical SMILES for 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol is OC(CCBr)C(O)c1cnc2ncccn12.
What is the InChIKey of 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol?
The InChIKey is JQABQGLQIPSAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-3-2-8(15)9(16)7-6-13-10-12-4-1-5-14(7)10/h1,4-6,8-9,15-16H,2-3H2.
What are the key properties of 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol?
4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol has a molecular weight of 286.13 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-imidazo[1,2-a]pyrimidin-3-ylbutane-1,2-diol is sourced from PubChem (CID 171892192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).