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CAS 199863-85-9 2-amino-4-chloro-6-cyclobutylpyrimidine molecular structure lightbox
CAS RN: 199863-85-9

2-amino-4-chloro-6-cyclobutylpyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS199863-85-9
  • Purity/Analytical Methods: >99.0%
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199863-85-9 / 4-chloro-6-cyclobutylpyrimidin-2-amine

Standard CAS: 199863-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199863-85-9
Multi CAS
No
Molecular Formula
C8H10ClN3
Molecular Weight
183.640000
Exact Mass
183.056325
SMILES
C1CC(C1)C2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C8H10ClN3/c9-7-4-6(5-2-1-3-5)11-8(10)12-7/h4-5H,1-3H2,(H2,10,11,12)
InChIKey
FTXYFHWTPCLTMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.05
TPSA
51.8

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.43

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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