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CAS 944899-85-8 (2-ISOPROPYLPYRIMIDIN-5-YL)METHANAMINE molecular structure lightbox
CAS RN: 944899-85-8

(2-ISOPROPYLPYRIMIDIN-5-YL)METHANAMINE

  • Product code: SSC-209429
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • 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 944899-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

944899-85-8 / (2-propan-2-ylpyrimidin-5-yl)methanamine

Standard CAS: 944899-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944899-85-8
Multi CAS
No
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
InChI
InChI=1S/C8H13N3/c1-6(2)8-10-4-7(3-9)5-11-8/h4-6H,3,9H2,1-2H3
InChIKey
JNKBUCYGSZEIMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.01
TPSA
51.8

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.2
Consensus LogP
0.73
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.89

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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