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CAS 1185319-89-4 2-Methylaminopyridine-d7 molecular structure lightbox
CAS RN: 1185319-89-4

2-Methylaminopyridine-d7

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LINM889863
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1185319-89-4 / 3,4,5,6-tetradeuterio-N-(trideuteriomethyl)pyridin-2-amine

2-Methylaminopyridine-d7 | AKOS015944545 | CS-17654

Standard CAS: 1185319-89-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185319-89-4
Multi CAS
No
Molecular Formula
C6H8N2
Molecular Weight
115.180000
Exact Mass
115.112685
SMILES
[2H]C1=C(C(=NC(=C1[2H])NC([2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)/i1D3,2D,3D,4D,5D
InChIKey
SVEUVITYHIHZQE-AAYPNNLASA-N
Synonyms
2-Methylaminopyridine-d7 AKOS015944545 CS-17654 F92425

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.78
TPSA
24.92

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.07
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-2.58

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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