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CAS 1063734-07-5 2-(piperidin-3-ylmethyl)pyrimidine molecular structure lightbox
CAS RN: 1063734-07-5

2-(piperidin-3-ylmethyl)pyrimidine

  • Product code: SSC-008061
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1063734-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

1063734-07-5 / 2-(piperidin-3-ylmethyl)pyrimidine

2-(3-Piperidylmethyl)pyrimidine | 2-(piperidin-3-ylmethyl)pyrimidine | MFCD22403924

Standard CAS: 1063734-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1063734-07-5
Multi CAS
No
Molecular Formula
C10H15N3
Molecular Weight
177.250000
Exact Mass
177.126597
SMILES
C1CC(CNC1)CC2=NC=CC=N2
InChI
InChI=1S/C10H15N3/c1-3-9(8-11-4-1)7-10-12-5-2-6-13-10/h2,5-6,9,11H,1,3-4,7-8H2
InChIKey
UPRVDXUSSMRSEP-UHFFFAOYSA-N
Synonyms
2-(3-Piperidylmethyl)pyrimidine 2-(piperidin-3-ylmethyl)pyrimidine MFCD22403924 2-[(piperidin-3-yl)methyl]pyrimidine SCHEMBL3161259

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.33
TPSA
37.81

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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