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CAS 852061-80-4 6-Chloro-5-isopropyl-pyrimidin-4-ylamine molecular structure lightbox
CAS RN: 852061-80-4

6-Chloro-5-isopropyl-pyrimidin-4-ylamine

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250324 100mg Out of stock Inquiry
Batchno.20260417 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250804 1g Out of stock Inquiry
Batchno.20260616 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS852061-80-4
  • Purity/Analytical Methods: >99.0%
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852061-80-4 / 6-chloro-5-propan-2-ylpyrimidin-4-amine

Standard CAS: 852061-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852061-80-4
Multi CAS
No
Molecular Formula
C7H10CLN3
Molecular Weight
171.630000
Exact Mass
171.056325
InChI
InChI=1S/C7H10ClN3/c1-4(2)5-6(8)10-3-11-7(5)9/h3-4H,1-2H3,(H2,9,10,11)
InChIKey
UBAXMRNOUSTNRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.54
TPSA
51.8

LogP / Solubility

WLOGP
1.84
MLOGP
1.61
XLogP3
1.9
Consensus LogP
1.78
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
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)
-2.46

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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