4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol

C22H22N4O3 — CID 25148208

IUPAC4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc3ncccn3c2Nc2c(C)cccc2C)cc(OC)c1O
InChIInChI=1S/C22H22N4O3/c1-13-7-5-8-14(2)18(13)24-21-19(25-22-23-9-6-10-26(21)22)15-11-16(28-3)20(27)17(12-15)29-4/h5-12,24,27H,1-4H3
InChIKeyUIVSNRKMYYNGAX-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.48
Rot. Bonds5

About 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol

4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol (PubChem CID 25148208) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol
PubChem CID25148208
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc3ncccn3c2Nc2c(C)cccc2C)cc(OC)c1O
InChIInChI=1S/C22H22N4O3/c1-13-7-5-8-14(2)18(13)24-21-19(25-22-23-9-6-10-26(21)22)15-11-16(28-3)20(27)17(12-15)29-4/h5-12,24,27H,1-4H3
InChIKeyUIVSNRKMYYNGAX-UHFFFAOYSA-N
XLogP4.48
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol (CID 25148208) is 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol is COc1cc(-c2nc3ncccn3c2Nc2c(C)cccc2C)cc(OC)c1O.
What is the InChIKey of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol?
The InChIKey is UIVSNRKMYYNGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-7-5-8-14(2)18(13)24-21-19(25-22-23-9-6-10-26(21)22)15-11-16(28-3)20(27)17(12-15)29-4/h5-12,24,27H,1-4H3.
What are the key properties of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol?
4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol has a molecular weight of 390.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 25148208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).