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CAS 1365968-57-5 1-(Pyrimidin-2-yl)azetidin-3-amine dihydrochloride molecular structure lightbox
CAS RN: 1365968-57-5

1-(Pyrimidin-2-yl)azetidin-3-amine dihydrochloride

  • Product code: SSC-045632
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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: 1g
  • Available purity: ≥95%
  • 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 1365968-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1365968-57-5 / 1-pyrimidin-2-ylazetidin-3-amine;dihydrochloride

Standard CAS: 1365968-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1365968-57-5
Multi CAS
No
Molecular Formula
C7H12Cl2N4
Molecular Weight
223.100000
Exact Mass
222.043902
SMILES
C1C(CN1C2=NC=CC=N2)N.Cl.Cl
InChI
InChI=1S/C7H10N4.2ClH/c8-6-4-11(5-6)7-9-2-1-3-10-7;;/h1-3,6H,4-5,8H2;2*1H
InChIKey
YRBBFKFCPGVSOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.72
TPSA
55.04

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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