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CAS 1439899-22-5 N2-Methylpyridine-2,5-diamine dihydrochloride molecular structure lightbox
CAS RN: 1439899-22-5

N2-Methylpyridine-2,5-diamine dihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1439899-22-5
  • Purity/Analytical Methods: >99.0%
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1439899-22-5 / 2-N-methylpyridine-2,5-diamine;dihydrochloride

Standard CAS: 1439899-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1439899-22-5
Multi CAS
No
Molecular Formula
C6H11Cl2N3
Molecular Weight
196.070000
Exact Mass
195.033003
SMILES
CNC1=NC=C(C=C1)N.Cl.Cl
InChI
InChI=1S/C6H9N3.2ClH/c1-8-6-3-2-5(7)4-9-6;;/h2-4H,7H2,1H3,(H,8,9);2*1H
InChIKey
XCIDVONIAQPOLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.69
TPSA
50.94

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.82

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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