4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol

C20H17BrN4O3 — CID 15990371

IUPAC4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCOc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)cc1OC
InChIInChI=1S/C20H17BrN4O3/c1-27-16-7-5-13(11-17(16)28-2)23-19-18(14-10-12(21)4-6-15(14)26)24-20-22-8-3-9-25(19)20/h3-11,23,26H,1-2H3
InChIKeyODEGSKVLIIZEAP-UHFFFAOYSA-N
MW441.29 g/mol
LogP4.63
Rot. Bonds5

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

4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 15990371) has the molecular formula C20H17BrN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID15990371
Molecular FormulaC20H17BrN4O3
Molecular Weight441.29 g/mol
Exact Mass440.05
IUPAC Name4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCOc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)cc1OC
InChIInChI=1S/C20H17BrN4O3/c1-27-16-7-5-13(11-17(16)28-2)23-19-18(14-10-12(21)4-6-15(14)26)24-20-22-8-3-9-25(19)20/h3-11,23,26H,1-2H3
InChIKeyODEGSKVLIIZEAP-UHFFFAOYSA-N
XLogP4.63
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 15990371) is 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is COc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)cc1OC.
What is the InChIKey of 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is ODEGSKVLIIZEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3/c1-27-16-7-5-13(11-17(16)28-2)23-19-18(14-10-12(21)4-6-15(14)26)24-20-22-8-3-9-25(19)20/h3-11,23,26H,1-2H3.
What are the key properties of 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 441.29 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 15990371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).