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CAS 18260-92-9 6-Chloro-2,5-dimethyl-4-pyrimidinamine molecular structure lightbox
CAS RN: 18260-92-9

6-Chloro-2,5-dimethyl-4-pyrimidinamine

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 1g In stock Inquiry
Batchno.20250929 250mg In stock Inquiry
Batchno.20260112 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS18260-92-9
  • Purity/Analytical Methods: >99.0%
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18260-92-9 / 6-chloro-2,5-dimethylpyrimidin-4-amine

Standard CAS: 18260-92-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18260-92-9
Multi CAS
No
Molecular Formula
C6H8ClN3
Molecular Weight
157.600000
Exact Mass
157.040675
SMILES
CC1=C(N=C(N=C1Cl)C)N
InChI
InChI=1S/C6H8ClN3/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3,(H2,8,9,10)
InChIKey
LNSWUPHSSBNJIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.93
TPSA
51.8

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-2.74

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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