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CAS 643087-03-0 2-chloro-4-(m-tolylamino)pyrimidine-5-carboxamide molecular structure lightbox
CAS RN: 643087-03-0

2-chloro-4-(m-tolylamino)pyrimidine-5-carboxamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-174085
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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 643087-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

643087-03-0 / 2-chloro-4-(3-methylanilino)pyrimidine-5-carboxamide

Standard CAS: 643087-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
643087-03-0
Multi CAS
No
Molecular Formula
C12H11CLN4O
Molecular Weight
262.690000
Exact Mass
262.062139
InChI
InChI=1S/C12H11ClN4O/c1-7-3-2-4-8(5-7)16-11-9(10(14)18)6-15-12(13)17-11/h2-6H,1H3,(H2,14,18)(H,15,16,17)
InChIKey
UIZLTWGJEQJWPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.02
TPSA
80.9

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.8
Consensus LogP
2.36
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

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