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CAS 126230-70-4 5-Pyrimidinemethanol, alpha,alpha-dimethyl- (9CI) molecular structure lightbox
CAS RN: 126230-70-4

5-Pyrimidinemethanol, alpha,alpha-dimethyl- (9CI)

  • Product code: SSC-033091
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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 126230-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

126230-70-4 / 2-pyrimidin-5-ylpropan-2-ol

Standard CAS: 126230-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126230-70-4
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
CC(C)(C1=CN=CN=C1)O
InChI
InChI=1S/C7H10N2O/c1-7(2,10)6-3-8-5-9-4-6/h3-5,10H,1-2H3
InChIKey
OTTNMYLFYRNEIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.28
TPSA
46.01

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
-0.1
Consensus LogP
0.4
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.06

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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