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CAS 1071435-99-8 1-(2-MethylpyriMidin-5-yl)ethanaMine molecular structure lightbox
CAS RN: 1071435-99-8

1-(2-MethylpyriMidin-5-yl)ethanaMine

  • Product code: SSC-008583
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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 1071435-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1071435-99-8 / 1-(2-methylpyrimidin-5-yl)ethanamine

(R)-1-(2-Methyl-5-pyrimidinyl)ethanamine | SCHEMBL441306 | SIJDBWQOOLPSIM-RXMQYKEDSA-N

Standard CAS: 1071435-99-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1071435-99-8
Multi CAS
Yes
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
SMILES
CC1=NC=C(C=N1)C(C)N
InChI
InChI=1S/C7H11N3/c1-5(8)7-3-9-6(2)10-4-7/h3-5H,8H2,1-2H3
InChIKey
SIJDBWQOOLPSIM-UHFFFAOYSA-N
Synonyms
(R)-1-(2-Methyl-5-pyrimidinyl)ethanamine SCHEMBL441306 SIJDBWQOOLPSIM-RXMQYKEDSA-N MFCD19205833 AKOS006340468

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
39.37
TPSA
51.8

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
XLogP3
-0.1
Consensus LogP
0.47
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-2.99

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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