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CAS 69125-70-8 (5RS)-5-Ethyl-2,6-diimino-5-phenyl-1,2,5,6-tetrahydropyrimidin-4(3H)-one molecular structure lightbox
CAS RN: 69125-70-8

(5RS)-5-Ethyl-2,6-diimino-5-phenyl-1,2,5,6-tetrahydropyrimidin-4(3H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS69125-70-8
  • Purity/Analytical Methods: >99.0%
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69125-70-8 / 2,6-diamino-5-ethyl-5-phenylpyrimidin-4-one

Standard CAS: 69125-70-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69125-70-8
Multi CAS
Yes
Molecular Formula
C12H14N4O
Molecular Weight
230.270000
Exact Mass
230.116761
InChI
InChI=1S/C12H14N4O/c1-2-12(8-6-4-3-5-7-8)9(13)15-11(14)16-10(12)17/h3-7H,2H2,1H3,(H4,13,14,15,16,17)
InChIKey
ZKPNDYQXPJGNCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.66
TPSA
93.83

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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