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CAS 944899-18-7 1-(2-METHOXYPYRIMIDIN-5-YL)METHANAMINE molecular structure lightbox
CAS RN: 944899-18-7

1-(2-METHOXYPYRIMIDIN-5-YL)METHANAMINE

  • Product code: SSC-209423
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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 944899-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

944899-18-7 / (2-methoxypyrimidin-5-yl)methanamine

Standard CAS: 944899-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944899-18-7
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
InChI
InChI=1S/C6H9N3O/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,2,7H2,1H3
InChIKey
WQGGCEDSKVDHPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.48
TPSA
61.03

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.6
Consensus LogP
-0.24
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.61

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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