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CAS 1073-65-0 4-Pyrimidinecarboxaldehyde, oxime (7CI,8CI,9CI) molecular structure lightbox
CAS RN: 1073-65-0

4-Pyrimidinecarboxaldehyde, oxime (7CI,8CI,9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1073-65-0
  • Purity/Analytical Methods: >99.0%
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1073-65-0 / (NE)-N-(pyrimidin-4-ylmethylidene)hydroxylamine

(6E)-6-(nitrosomethylidene)-1H-pyrimidine | 4-pyrimidinal oxime | N-(pyrimidin-4-ylmethylidene)hydroxylamine

Standard CAS: 1073-65-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1073-65-0
Multi CAS
Yes
Molecular Formula
C5H5N3O
Molecular Weight
123.110000
Exact Mass
123.043262
SMILES
C1=CN=CN=C1/C=N/O
InChI
InChI=1S/C5H5N3O/c9-8-3-5-1-2-6-4-7-5/h1-4,9H/b8-3+
InChIKey
PUVYLIOTFMFXOB-FPYGCLRLSA-N
Synonyms
(6E)-6-(nitrosomethylidene)-1H-pyrimidine 4-pyrimidinal oxime N-(pyrimidin-4-ylmethylidene)hydroxylamine (E)-N-[(pyrimidin-4-yl)methylidene]hydroxylamine 4-Formyl-pyrimidine-oxime

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
31.41
TPSA
58.37

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
XLogP3
0.3
Consensus LogP
0.27
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.27

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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