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CAS 1147181-71-2 2-(piperidin-4-ylmethoxy)pyrimidine molecular structure lightbox
CAS RN: 1147181-71-2

2-(piperidin-4-ylmethoxy)pyrimidine

  • Product code: SSC-014449
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1147181-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥97% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1147181-71-2 / 2-(piperidin-4-ylmethoxy)pyrimidine

2-(piperidin-4-ylmethoxy)pyrimidine | 2-(4-Piperidylmethoxy)pyrimidine | MFCD16714108

Standard CAS: 1147181-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1147181-71-2
Multi CAS
No
Molecular Formula
C10H15N3O
Molecular Weight
193.250000
Exact Mass
193.121512
SMILES
C1CNCCC1COC2=NC=CC=N2
InChI
InChI=1S/C10H15N3O/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1,4-5,9,11H,2-3,6-8H2
InChIKey
XSHRWOKBLNVINF-UHFFFAOYSA-N
Synonyms
2-(piperidin-4-ylmethoxy)pyrimidine 2-(4-Piperidylmethoxy)pyrimidine MFCD16714108 SCHEMBL13163123 AC8323

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.12
TPSA
47.04

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-3.29

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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