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CAS 5472-46-8 ethyl 4-amino-2-methylpyrimidine-5-carboxylate molecular structure lightbox
CAS RN: 5472-46-8

ethyl 4-amino-2-methylpyrimidine-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-162558
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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 5472-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

5472-46-8 / ethyl 4-amino-2-methylpyrimidine-5-carboxylate

Standard CAS: 5472-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5472-46-8
Multi CAS
Yes
Molecular Formula
C8H11N3O2
Molecular Weight
181.190000
Exact Mass
181.085127
InChI
InChI=1S/C8H11N3O2/c1-3-13-8(12)6-4-10-5(2)11-7(6)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKey
YRKLYFMSXXRRNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.14
TPSA
78.1

LogP / Solubility

WLOGP
0.54
MLOGP
0.48
XLogP3
1
Consensus LogP
0.67
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.44

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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