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CAS 72491-71-5 5-Pyrimidinol, 2-(dimethylamino)- (9CI) molecular structure lightbox
CAS RN: 72491-71-5

5-Pyrimidinol, 2-(dimethylamino)- (9CI)

  • Product code: SSC-181977
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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 72491-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

72491-71-5 / 2-(dimethylamino)pyrimidin-5-ol

Standard CAS: 72491-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72491-71-5
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
InChI
InChI=1S/C6H9N3O/c1-9(2)6-7-3-5(10)4-8-6/h3-4,10H,1-2H3
InChIKey
YEPCZOWQAYSIBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.02
TPSA
49.25

LogP / Solubility

WLOGP
0.25
MLOGP
0.21
XLogP3
0.3
Consensus LogP
0.25
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
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)
-3.39

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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