4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol

C15H14BrN3O — CID 139307059

IUPAC4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol
SMILESCC(C)c1c(-c2cc(Br)ccc2O)nc2ncccn12
InChIInChI=1S/C15H14BrN3O/c1-9(2)14-13(11-8-10(16)4-5-12(11)20)18-15-17-6-3-7-19(14)15/h3-9,20H,1-2H3
InChIKeyDSWPRROKNJNINC-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.99
Rot. Bonds2

About 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol

4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol (PubChem CID 139307059) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol
PubChem CID139307059
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol
SMILESCC(C)c1c(-c2cc(Br)ccc2O)nc2ncccn12
InChIInChI=1S/C15H14BrN3O/c1-9(2)14-13(11-8-10(16)4-5-12(11)20)18-15-17-6-3-7-19(14)15/h3-9,20H,1-2H3
InChIKeyDSWPRROKNJNINC-UHFFFAOYSA-N
XLogP3.99
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol?
The IUPAC name of 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol (CID 139307059) is 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol.
What is the SMILES notation for 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol?
The canonical SMILES for 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol is CC(C)c1c(-c2cc(Br)ccc2O)nc2ncccn12.
What is the InChIKey of 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol?
The InChIKey is DSWPRROKNJNINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9(2)14-13(11-8-10(16)4-5-12(11)20)18-15-17-6-3-7-19(14)15/h3-9,20H,1-2H3.
What are the key properties of 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol?
4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol has a molecular weight of 332.20 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)phenol is sourced from PubChem (CID 139307059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).