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CAS 1211529-16-6 5-(piperidin-4-yloxy)pyrimidine molecular structure lightbox
CAS RN: 1211529-16-6

5-(piperidin-4-yloxy)pyrimidine

  • Product code: SSC-022638
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211529-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1211529-16-6 / 5-piperidin-4-yloxypyrimidine

5-(Piperidin-4-yloxy)pyrimidine | 5-(4-Piperidyloxy)pyrimidine | MFCD18261813

Standard CAS: 1211529-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211529-16-6
Multi CAS
No
Molecular Formula
C9H13N3O
Molecular Weight
179.220000
Exact Mass
179.105862
SMILES
C1CNCCC1OC2=CN=CN=C2
InChI
InChI=1S/C9H13N3O/c1-3-10-4-2-8(1)13-9-5-11-7-12-6-9/h5-8,10H,1-4H2
InChIKey
NGWFNDWOFSGUOM-UHFFFAOYSA-N
Synonyms
5-(Piperidin-4-yloxy)pyrimidine 5-(4-Piperidyloxy)pyrimidine MFCD18261813 starbld0047148 SCHEMBL20764849

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
1
Molar refractivity
48.55
TPSA
47.04

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.38

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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