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CAS 915222-02-5 5-[1-[[(1R,2R)-2-aMinocyclohexyl]aMino]ethylidene]-1,3-diMethyl-2,4,6(1H,3H,5H)-PyriMidinetrione molecular structure lightbox
CAS RN: 915222-02-5

5-[1-[[(1R,2R)-2-aMinocyclohexyl]aMino]ethylidene]-1,3-diMethyl-2,4,6(1H,3H,5H)-PyriMidinetrione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS915222-02-5
  • Purity/Analytical Methods: >99.0%
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915222-02-5 / 5-[N-[(1R,2R)-2-aminocyclohexyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

Standard CAS: 915222-02-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915222-02-5
Multi CAS
No
Molecular Formula
C14H22N4O3
Molecular Weight
294.350000
Exact Mass
294.169191
InChI
InChI=1S/C14H22N4O3/c1-8(16-10-7-5-4-6-9(10)15)11-12(19)17(2)14(21)18(3)13(11)20/h9-10,19H,4-7,15H2,1-3H3/t9-,10-/m1/s1
InChIKey
IODXVTIQJBDEFL-NXEZZACHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
81.03
TPSA
102.61

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.1
XLogP3
-0.4
Consensus LogP
-0.21
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-4.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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