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CAS 1609259-61-1 6-bromo-1,5-dimethylpyrimidine-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 1609259-61-1

6-bromo-1,5-dimethylpyrimidine-2,4(1H,3H)-dione

  • Product code: SSC-068640
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 0.1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1609259-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

1609259-61-1 / 6-bromo-1,5-dimethylpyrimidine-2,4-dione

Standard CAS: 1609259-61-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1609259-61-1
Multi CAS
No
Molecular Formula
C6H7BrN2O2
Molecular Weight
219.040000
Exact Mass
217.969090
SMILES
CC1=C(N(C(=O)NC1=O)C)Br
InChI
InChI=1S/C6H7BrN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11)
InChIKey
LQXGGFUWLLKMFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.74
TPSA
54.86

LogP / Solubility

WLOGP
0.14
MLOGP
0.13
XLogP3
0.5
Consensus LogP
0.26
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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