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CAS 14394-57-1 6-Chloro-N,5-dimethylpyrimidin-4-amine molecular structure lightbox
CAS RN: 14394-57-1

6-Chloro-N,5-dimethylpyrimidin-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS14394-57-1
  • Purity/Analytical Methods: >99.0%
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14394-57-1 / 6-chloro-N,5-dimethylpyrimidin-4-amine

Standard CAS: 14394-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14394-57-1
Multi CAS
No
Molecular Formula
C6H8ClN3
Molecular Weight
157.600000
Exact Mass
157.040675
SMILES
CC1=C(N=CN=C1Cl)NC
InChI
InChI=1S/C6H8ClN3/c1-4-5(7)9-3-10-6(4)8-2/h3H,1-2H3,(H,8,9,10)
InChIKey
RZBFGFBOMOCWDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.33
TPSA
37.81

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.63

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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