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CAS 102843-68-5 3-Pyridinamine,N,2-dimethyl-(9CI) molecular structure lightbox
CAS RN: 102843-68-5

3-Pyridinamine,N,2-dimethyl-(9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS102843-68-5
  • Purity/Analytical Methods: >99.0%
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102843-68-5 / N,2-dimethylpyridin-3-amine

N,2-dimethylpyridin-3-amine | Methyl-(2-methyl-pyridin-3-yl)-amine | 3-Pyridinamine,N,2-dimethyl-(9CI)

Standard CAS: 102843-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102843-68-5
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
SMILES
CC1=C(C=CC=N1)NC
InChI
InChI=1S/C7H10N2/c1-6-7(8-2)4-3-5-9-6/h3-5,8H,1-2H3
InChIKey
STLSDMWQIGIOTM-UHFFFAOYSA-N
Synonyms
N,2-dimethylpyridin-3-amine Methyl-(2-methyl-pyridin-3-yl)-amine 3-Pyridinamine,N,2-dimethyl-(9CI) MFCD21784363 SCHEMBL883520

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.52
TPSA
24.92

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.45

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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