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CAS 75712-73-1 Pyrimidine, 5-chloro-2,4-dimethyl- (9CI) molecular structure lightbox
CAS RN: 75712-73-1

Pyrimidine, 5-chloro-2,4-dimethyl- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS75712-73-1
  • Purity/Analytical Methods: >99.0%
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75712-73-1 / 5-chloro-2,4-dimethylpyrimidine

Standard CAS: 75712-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75712-73-1
Multi CAS
No
Molecular Formula
C6H7CLN2
Molecular Weight
142.580000
Exact Mass
142.029776
InChI
InChI=1S/C6H7ClN2/c1-4-6(7)3-8-5(2)9-4/h3H,1-2H3
InChIKey
DEMUHPYWGGVSJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
36.52
TPSA
25.78

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.35

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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