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CAS 55551-49-0 2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE molecular structure lightbox
CAS RN: 55551-49-0

2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE

  • Product code: SSC-163474
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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: ＞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 55551-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

55551-49-0 / 2-(dimethylamino)pyrimidine-5-carbaldehyde

Standard CAS: 55551-49-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55551-49-0
Multi CAS
Yes
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
InChI
InChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3
InChIKey
XBYXYDVSCMMJDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
41.75
TPSA
46.09

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
0.1
Consensus LogP
0.26
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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