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CAS 1565540-62-6 3-(4-methylpiperazin-1-yl)pyridin-2-amine molecular structure lightbox
CAS RN: 1565540-62-6

3-(4-methylpiperazin-1-yl)pyridin-2-amine

  • Product code: SSC-065588
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1565540-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1565540-62-6 / 3-(4-methylpiperazin-1-yl)pyridin-2-amine

Standard CAS: 1565540-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1565540-62-6
Multi CAS
No
Molecular Formula
C10H16N4
Molecular Weight
192.260000
Exact Mass
192.137497
SMILES
CN1CCN(CC1)C2=C(N=CC=C2)N
InChI
InChI=1S/C10H16N4/c1-13-5-7-14(8-6-13)9-3-2-4-12-10(9)11/h2-4H,5-8H2,1H3,(H2,11,12)
InChIKey
BOMRADAXQDYILQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.36
TPSA
45.39

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.6

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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