2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide

C25H27N5O3 — CID 25260594

IUPAC2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ncccn2c1Nc1c(C)cccc1C
InChIInChI=1S/C25H27N5O3/c1-5-17-12-18(32-4)13-19(33-14-20(26)31)21(17)23-24(30-11-7-10-27-25(30)29-23)28-22-15(2)8-6-9-16(22)3/h6-13,28H,5,14H2,1-4H3,(H2,26,31)
InChIKeySPZFNJUWMVOYTN-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.19
Rot. Bonds8

About 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide

2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (PubChem CID 25260594) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
PubChem CID25260594
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ncccn2c1Nc1c(C)cccc1C
InChIInChI=1S/C25H27N5O3/c1-5-17-12-18(32-4)13-19(33-14-20(26)31)21(17)23-24(30-11-7-10-27-25(30)29-23)28-22-15(2)8-6-9-16(22)3/h6-13,28H,5,14H2,1-4H3,(H2,26,31)
InChIKeySPZFNJUWMVOYTN-UHFFFAOYSA-N
XLogP4.19
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[8-amino-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
CID 67351569
2-[3-(2-amino-2-oxoethoxy)-4-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-ethylphenoxy]acetamide
CID 67349337
2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
CID 87365965
4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-2,6-dimethoxyphenol
CID 25148208
N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 20851747
2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide
CID 67350304
2-[2-[6-fluoro-3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
CID 67349425
2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
CID 67352744
2-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenoxy]acetamide
CID 24855191
2-[3-cyano-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67350699
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide
CID 58387816
N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740280

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (CID 25260594) is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is CCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ncccn2c1Nc1c(C)cccc1C.
What is the InChIKey of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The InChIKey is SPZFNJUWMVOYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-5-17-12-18(32-4)13-19(33-14-20(26)31)21(17)23-24(30-11-7-10-27-25(30)29-23)28-22-15(2)8-6-9-16(22)3/h6-13,28H,5,14H2,1-4H3,(H2,26,31).
What are the key properties of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide has a molecular weight of 445.52 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is sourced from PubChem (CID 25260594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).