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CAS 1033745-26-4 2-(Methylamino)pyrimidin-5-ylboronic acid molecular structure lightbox
CAS RN: 1033745-26-4

2-(Methylamino)pyrimidin-5-ylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-004871
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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 1033745-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1033745-26-4 / [2-(methylamino)pyrimidin-5-yl]boronic acid

(2-(Methylamino)pyrimidin-5-yl)boronic acid | 2-(METHYLAMINO)PYRIMIDIN-5-YLBORONIC ACID | [2-(methylamino)pyrimidin-5-yl]boronic acid

Standard CAS: 1033745-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033745-26-4
Multi CAS
No
Molecular Formula
C5H8BN3O2
Molecular Weight
152.950000
Exact Mass
153.070957
SMILES
B(C1=CN=C(N=C1)NC)(O)O
InChI
InChI=1S/C5H8BN3O2/c1-7-5-8-2-4(3-9-5)6(10)11/h2-3,10-11H,1H3,(H,7,8,9)
InChIKey
KZFJQCSGYDFCRC-UHFFFAOYSA-N
Synonyms
(2-(Methylamino)pyrimidin-5-yl)boronic acid 2-(METHYLAMINO)PYRIMIDIN-5-YLBORONIC ACID [2-(methylamino)pyrimidin-5-yl]boronic acid MFCD16618931 C5H8BN3O2

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
41.4
TPSA
78.27

LogP / Solubility

WLOGP
-1.8
MLOGP
-1.59
XLogP3
-1.8
Consensus LogP
-1.73
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
0.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.6
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.93

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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