CAS 75438-54-9|1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-1-yl}ethan-1-one|1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl}ethanone|1-{2-[(4...

General Information

Structure

Molecular Formula

C₁₀H₁₁Cl₂N₅O

Molecular Mass

288.13324

Exact Mass

287.03406536

Charge

InChI

InChI=1S/C10H11Cl2N5O/c1-5-14-8(11)7(9(12)15-5)16-10-13-3-4-17(10)6(2)18/h3-4H2,1-2H3,(H,13,16)

InChIKey

UPSZQCBUTUCGAR-UHFFFAOYSA-N

Canonic Smiles

CC(=O)N1CCN=C1Nc1c(Cl)nc(nc1Cl)C

Isomeric Smiles

C1(=NCCN1C(=O)C)Nc1c(nc(nc1Cl)C)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7527024

LogD (pH = 7.4)

1.7529575

Log P

1.7529607

Molar Refractivity

72.066

Polarizability

25.927795

Polar Surface Area

70.48

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-1-yl}ethan-1-one

IUPAC Traditional name

1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl}ethanone

Synonyms

1-{2-[(4,6-Dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-1-yl}ethan-1-one1-Acetyl-2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazole5-[(1-Acetyl-4,5-dihydro-1H-imidazol-2-yl)amino]-4,6-dichloro-2-methylpyrimidine

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

Registration numbers