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CAS 51953-18-5 4-Pyrimidinol molecular structure lightbox
CAS RN: 51953-18-5

4-Pyrimidinol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250427 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-159004
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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: 100g
  • 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 51953-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

51953-18-5 / 1H-pyrimidin-6-one

Standard CAS: 51953-18-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
51953-18-5
Multi CAS
No
Molecular Formula
C4H4N2O
Molecular Weight
96.090000
Exact Mass
96.032363
InChI
InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
InChIKey
DNCYBUMDUBHIJZ-UHFFFAOYSA-N

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.86
TPSA
45.75

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-1.4
Consensus LogP
-0.61
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.09
Class (SILICOS-IT)
Very 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)
-3.47

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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