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CAS 54568-11-5 2-Pyrimidinamine, 4,5,6-trimethyl- (9CI) molecular structure lightbox
CAS RN: 54568-11-5

2-Pyrimidinamine, 4,5,6-trimethyl- (9CI)

  • Product code: SSC-162285
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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: 0.1g, 0.25g, 1g, 5g, 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 54568-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

54568-11-5 / 4,5,6-trimethylpyrimidin-2-amine

Standard CAS: 54568-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54568-11-5
Multi CAS
No
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
InChI
InChI=1S/C7H11N3/c1-4-5(2)9-7(8)10-6(4)3/h1-3H3,(H2,8,9,10)
InChIKey
PGKDWIZGAJVLNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.66
TPSA
51.8

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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