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CAS 945895-52-3 (2-Chloro-pyrimidin-4-yl)-cyclopropyl-amine molecular structure lightbox
CAS RN: 945895-52-3

(2-Chloro-pyrimidin-4-yl)-cyclopropyl-amine

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251202 1g In stock Shanghai Inquiry
Batchno.20251230 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS945895-52-3
  • Purity/Analytical Methods: >99.0%
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945895-52-3 / 2-chloro-N-cyclopropylpyrimidin-4-amine

Standard CAS: 945895-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945895-52-3
Multi CAS
No
Molecular Formula
C7H8CLN3
Molecular Weight
169.610000
Exact Mass
169.040675
InChI
InChI=1S/C7H8ClN3/c8-7-9-4-3-6(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKey
GMKDIJOOBWRXFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.69
TPSA
37.81

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.54

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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