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CAS 5734-62-3 4-chloro-N,N,6-trimethylpyrimidin-2-amine molecular structure lightbox
CAS RN: 5734-62-3

4-chloro-N,N,6-trimethylpyrimidin-2-amine

  • Product code: SSC-165448
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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: 1g
  • Available purity: ＞97%
  • 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 5734-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

5734-62-3 / 2-chloro-N,N,6-trimethylpyrimidin-4-amine

Standard CAS: 5734-62-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5734-62-3
Multi CAS
Yes
Molecular Formula
C7H10CLN3
Molecular Weight
171.630000
Exact Mass
171.056325
InChI
InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3
InChIKey
HJIUPFPIEBPYIE-UHFFFAOYSA-N

Physical Properties

Melting Point
189 °F (EPA, 1998) 87 °C Brown waxy solid; mp: 87 °C /commercial crimidine/ MP: 218 °C /Crimidine hydrochloride/ MP: 146 °C /Crimidine picrate/
Boiling Point
284 to 297 °F at 4 mmHg (EPA, 1998) 140-147 °C at 4 mm Hg
Physical Description
Crimidine appears as brown waxy solid or colorless crystals. Used as a rodenticide. Not registered as a pesticide in the U.S. (EPA, 1998) Colorless solid; Commercial product is brown and waxy; [HSDB] Colorless odorless crystalline solid
Appearance
Colorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.11
TPSA
29.02

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
2
Consensus LogP
1.61
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.7

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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