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CAS 882770-78-7 4-Chloro-6-(1H-imidazol-1-yl)pyrimidin-5-amine molecular structure lightbox
CAS RN: 882770-78-7

4-Chloro-6-(1H-imidazol-1-yl)pyrimidin-5-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS882770-78-7
  • Purity/Analytical Methods: >99.0%
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882770-78-7 / 4-chloro-6-imidazol-1-ylpyrimidin-5-amine

Standard CAS: 882770-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
882770-78-7
Multi CAS
No
Molecular Formula
C7H6CLN5
Molecular Weight
195.610000
Exact Mass
195.031173
InChI
InChI=1S/C7H6ClN5/c8-6-5(9)7(12-3-11-6)13-2-1-10-4-13/h1-4H,9H2
InChIKey
KOHVFKGNGGRICG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.58
TPSA
69.62

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.6
Consensus LogP
0.76
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.28

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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