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CAS 1353989-85-1 4-(6-AMino-pyriMidin-4-yloxyMethyl)-piperidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1353989-85-1

4-(6-AMino-pyriMidin-4-yloxyMethyl)-piperidine-1-carboxylic acid tert-butyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353989-85-1
  • Purity/Analytical Methods: >99.0%
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1353989-85-1 / tert-butyl 4-[(6-aminopyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate

Standard CAS: 1353989-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353989-85-1
Multi CAS
No
Molecular Formula
C15H24N4O3
Molecular Weight
308.380000
Exact Mass
308.184841
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=NC(=C2)N
InChI
InChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)19-6-4-11(5-7-19)9-21-13-8-12(16)17-10-18-13/h8,10-11H,4-7,9H2,1-3H3,(H2,16,17,18)
InChIKey
OEODWGWDNQQAPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
82.47
TPSA
90.57

LogP / Solubility

WLOGP
2.08
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.91
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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