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CAS 436851-80-8 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine molecular structure lightbox
CAS RN: 436851-80-8

1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS436851-80-8
  • Purity/Analytical Methods: >99.0%
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436851-80-8 / tert-butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate

Standard CAS: 436851-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
436851-80-8
Multi CAS
No
Molecular Formula
C13H21N5O2
Molecular Weight
279.340000
Exact Mass
279.169525
InChI
InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-8-10(14)15-9-16-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKey
JOZCBLMCQBMONN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
76.46
TPSA
84.58

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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