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CAS 66521-65-1 4-(pyridine-2-yl) pyrimidin-2-amine molecular structure lightbox
CAS RN: 66521-65-1

4-(pyridine-2-yl) pyrimidin-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS66521-65-1
  • Purity/Analytical Methods: >99.0%
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66521-65-1 / 4-pyridin-2-ylpyrimidin-2-amine

Standard CAS: 66521-65-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66521-65-1
Multi CAS
Yes
Molecular Formula
C9H8N4
Molecular Weight
172.190000
Exact Mass
172.074896
InChI
InChI=1S/C9H8N4/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H,(H2,10,12,13)
InChIKey
RHXVSZXHWDQESH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.68
TPSA
64.69

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.5
Consensus LogP
0.87
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-2.97

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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