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CAS 771-81-3 5-PyriMidinecarboxylic acid, 4-aMino-2-(Methylthio)- molecular structure lightbox
CAS RN: 771-81-3

5-PyriMidinecarboxylic acid, 4-aMino-2-(Methylthio)-

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260208 1g In stock Shanghai Inquiry
Batchno.20260114 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260214 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250410 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-186554
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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: 5g
  • 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 771-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

771-81-3 / 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid

Standard CAS: 771-81-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
771-81-3
Multi CAS
Yes
Molecular Formula
C6H7N3O2S
Molecular Weight
185.210000
Exact Mass
185.025898
InChI
InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChIKey
NTEPDMJNOBYJHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
45.18
TPSA
89.1

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.8
Consensus LogP
0.57
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

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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