2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol

C20H17BrN4O — CID 20851735

IUPAC2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol
SMILESCc1cc(C)n2c(Nc3ccccc3)c(-c3ccc(Br)cc3O)nc2n1
InChIInChI=1S/C20H17BrN4O/c1-12-10-13(2)25-19(23-15-6-4-3-5-7-15)18(24-20(25)22-12)16-9-8-14(21)11-17(16)26/h3-11,23,26H,1-2H3
InChIKeyTYOXQJGXFYBCRV-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.22
Rot. Bonds3

About 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol

2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol (PubChem CID 20851735) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol.

Molecular Properties

Compound Name2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol
PubChem CID20851735
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol
SMILESCc1cc(C)n2c(Nc3ccccc3)c(-c3ccc(Br)cc3O)nc2n1
InChIInChI=1S/C20H17BrN4O/c1-12-10-13(2)25-19(23-15-6-4-3-5-7-15)18(24-20(25)22-12)16-9-8-14(21)11-17(16)26/h3-11,23,26H,1-2H3
InChIKeyTYOXQJGXFYBCRV-UHFFFAOYSA-N
XLogP5.22
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.29
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol?
The IUPAC name of 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol (CID 20851735) is 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol.
What is the SMILES notation for 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol?
The canonical SMILES for 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol is Cc1cc(C)n2c(Nc3ccccc3)c(-c3ccc(Br)cc3O)nc2n1.
What is the InChIKey of 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol?
The InChIKey is TYOXQJGXFYBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c1-12-10-13(2)25-19(23-15-6-4-3-5-7-15)18(24-20(25)22-12)16-9-8-14(21)11-17(16)26/h3-11,23,26H,1-2H3.
What are the key properties of 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol?
2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol has a molecular weight of 409.29 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol is sourced from PubChem (CID 20851735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).