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CAS 945896-32-2 6-Chloro-N-isopropylpyrimidin-4-amine molecular structure lightbox
CAS RN: 945896-32-2

6-Chloro-N-isopropylpyrimidin-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250808 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS945896-32-2
  • Purity/Analytical Methods: >99.0%
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945896-32-2 / 6-chloro-N-propan-2-ylpyrimidin-4-amine

Standard CAS: 945896-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945896-32-2
Multi CAS
No
Molecular Formula
C7H10CLN3
Molecular Weight
171.630000
Exact Mass
171.056325
InChI
InChI=1S/C7H10ClN3/c1-5(2)11-7-3-6(8)9-4-10-7/h3-5H,1-2H3,(H,9,10,11)
InChIKey
GFEMVVWUEVRODL-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
45.8
TPSA
37.81

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.99
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.38

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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