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CAS 61456-98-2 4,6-DICHLORO-2-(1-METHYLETHYL)-5-PYRIMIDINAMINE molecular structure lightbox
CAS RN: 61456-98-2

4,6-DICHLORO-2-(1-METHYLETHYL)-5-PYRIMIDINAMINE

  • Product code: SSC-170347
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61456-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

61456-98-2 / 4,6-dichloro-2-propan-2-ylpyrimidin-5-amine

Standard CAS: 61456-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61456-98-2
Multi CAS
No
Molecular Formula
C7H9CL2N3
Molecular Weight
206.070000
Exact Mass
205.017353
InChI
InChI=1S/C7H9Cl2N3/c1-3(2)7-11-5(8)4(10)6(9)12-7/h3H,10H2,1-2H3
InChIKey
ITFDRXZFLKKUCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.55
TPSA
51.8

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.21

Drug-likeness / Medicinal Chemistry

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

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