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CAS 4786-53-2 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDE molecular structure lightbox
CAS RN: 4786-53-2

4-HYDROXYPYRIMIDINE-5-CARBOXAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4786-53-2
  • Purity/Analytical Methods: >99.0%
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4786-53-2 / 6-oxo-1H-pyrimidine-5-carboxamide

Standard CAS: 4786-53-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4786-53-2
Multi CAS
Yes
Molecular Formula
C5H5N3O2
Molecular Weight
139.110000
Exact Mass
139.038176
InChI
InChI=1S/C5H5N3O2/c6-4(9)3-1-7-2-8-5(3)10/h1-2H,(H2,6,9)(H,7,8,10)
InChIKey
ZOSXLRUOBVSFQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.38
TPSA
88.84

LogP / Solubility

WLOGP
-1.13
MLOGP
-1
XLogP3
-1.1
Consensus LogP
-1.08
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
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)
-4.37

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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