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2D Structure
Also known as: 3069891-91-1, Schembl31292236, Bdbm761035, Mrt-8102, Ex-a15659, Us20250243180, compound 14
Molecular Formula
C21H22Cl2N4O3
Molecular Weight
449.3  g/mol
InChI Key
VKROEWYACWPSOG-UHFFFAOYSA-N
FDA UNII
GHV7HF46BG

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(5-methylpyrimidin-2-yl)propanamide
2.1.2 InChI
InChI=1S/C21H22Cl2N4O3/c1-11-8-24-19(25-9-11)21(2,3)20(30)26-10-12-6-14(22)17(15(23)7-12)13-4-5-16(28)27-18(13)29/h6-9,13H,4-5,10H2,1-3H3,(H,26,30)(H,27,28,29)
2.1.3 InChI Key
VKROEWYACWPSOG-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
GHV7HF46BG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3069891-91-1

2. Schembl31292236

3. Bdbm761035

4. Mrt-8102

5. Ex-a15659

6. Us20250243180, Compound 14

7. 2-pyrimidineacetamide, N-[[3,5-dichloro-4-(2,6-dioxo-3-piperidinyl)phenyl]methyl]-alpha,alpha,5-trimethyl-

8. N-[[3,5-dichloro-4-(2,6-dioxo-3-piperidinyl)phenyl]methyl]-alpha,alpha,5-trimethyl-2-pyrimidineacetamide

2.4 Create Date
2025-07-10
3 Chemical and Physical Properties
Molecular Weight 449.3 g/mol
Molecular Formula C21H22Cl2N4O3
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area101
Heavy Atom Count30
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1