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CAS 1956318-42-5 (5-methoxypyrimidin-2-yl)methanamine hydrochloride molecular structure lightbox
CAS RN: 1956318-42-5

(5-methoxypyrimidin-2-yl)methanamine hydrochloride

  • Product code: SSC-092369
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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: 0.1g
  • 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 1956318-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1956318-42-5 / (5-methoxypyrimidin-2-yl)methanamine;hydrochloride

Standard CAS: 1956318-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956318-42-5
Multi CAS
No
Molecular Formula
C6H10ClN3O
Molecular Weight
175.610000
Exact Mass
175.051240
SMILES
COC1=CN=C(N=C1)CN.Cl
InChI
InChI=1S/C6H9N3O.ClH/c1-10-5-3-8-6(2-7)9-4-5;/h3-4H,2,7H2,1H3;1H
InChIKey
SRVAUXYJMPFKRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.72
TPSA
61.03

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
0.37
Consensus LogP
0.35
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.53

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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