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CAS 36746-26-6 4(1H)-Pyrimidinone, 6-amino-5-nitro- molecular structure lightbox
CAS RN: 36746-26-6

4(1H)-Pyrimidinone, 6-amino-5-nitro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36746-26-6
  • Purity/Analytical Methods: >99.0%
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36746-26-6 / 4-amino-5-nitro-1H-pyrimidin-6-one

Standard CAS: 36746-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36746-26-6
Multi CAS
No
Molecular Formula
C4H4N4O3
Molecular Weight
156.100000
Exact Mass
156.028340
InChI
InChI=1S/C4H4N4O3/c5-3-2(8(10)11)4(9)7-1-6-3/h1H,(H3,5,6,7,9)
InChIKey
IQOLJQIRPDJLKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
35.92
TPSA
114.91

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.66
XLogP3
-0.6
Consensus LogP
-0.67
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very 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)
-4.2

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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