CAS RN: 69385-85-9

Piperidin-4-yl-pyrimidin-2-yl-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS69385-85-9
  • Purity/Analytical Methods: >99.0%
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69385-85-9 / N-piperidin-4-ylpyrimidin-2-amine

Standard CAS: 69385-85-9 Multi CAS: Yes

Basic Information

CAS
69385-85-9
Multi CAS
Yes
Molecular Formula
C9H14N4
Molecular Weight
178.230000
Exact Mass
178.121846
InChI
InChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13)
InChIKey
HQPSCRCCYZGOIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.55
TPSA
49.84

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
0.6
Consensus LogP
0.6
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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