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CAS 1260843-26-2 2-(Boc-aMinoMethyl)pyriMidine molecular structure lightbox
CAS RN: 1260843-26-2

2-(Boc-aMinoMethyl)pyriMidine

  • Product code: SSC-032207
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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 1260843-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1260843-26-2 / tert-butyl N-(pyrimidin-2-ylmethyl)carbamate

Standard CAS: 1260843-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260843-26-2
Multi CAS
No
Molecular Formula
C10H15N3O2
Molecular Weight
209.240000
Exact Mass
209.116427
SMILES
CC(C)(C)OC(=O)NCC1=NC=CC=N1
InChI
InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-7-8-11-5-4-6-12-8/h4-6H,7H2,1-3H3,(H,13,14)
InChIKey
TXOFDWCPZCHHEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.11
TPSA
64.11

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
0.7
Consensus LogP
1.17
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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