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CAS 1005-88-5 3-AMINO-5-ETHYL-5-METHYL-IMIDAZOLIDINE-2,4-DIONE molecular structure lightbox
CAS RN: 1005-88-5

3-AMINO-5-ETHYL-5-METHYL-IMIDAZOLIDINE-2,4-DIONE

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Batchno.20250208 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1005-88-5
  • Purity/Analytical Methods: >99.0%
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1005-88-5 / 3-amino-5-ethyl-5-methylimidazolidine-2,4-dione

3-amino-5-ethyl-5-methylimidazolidine-2,4-dione | DTXSID70395319 | RefChem:497389

Standard CAS: 1005-88-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005-88-5
Multi CAS
No
Molecular Formula
C6H11N3O2
Molecular Weight
157.170000
Exact Mass
157.085127
SMILES
CCC1(C(=O)N(C(=O)N1)N)C
InChI
InChI=1S/C6H11N3O2/c1-3-6(2)4(10)9(7)5(11)8-6/h3,7H2,1-2H3,(H,8,11)
InChIKey
PXVDMBBBYFDCPO-UHFFFAOYSA-N
Synonyms
3-amino-5-ethyl-5-methylimidazolidine-2,4-dione DTXSID70395319 RefChem:497389 DTXCID60346178 999-681-3

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.26
TPSA
75.43

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.37
XLogP3
-0.5
Consensus LogP
-0.43
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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