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CAS 1209458-16-1 4-BroMo-N-MethylpyriMidin-2-aMine molecular structure lightbox
CAS RN: 1209458-16-1

4-BroMo-N-MethylpyriMidin-2-aMine

  • Product code: SSC-022252
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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: ＞97%
  • 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 1209458-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1209458-16-1 / 4-bromo-N-methylpyrimidin-2-amine

4-Bromo-5-methylpyrimidin-2-amine | 2-Pyrimidinamine, 4-bromo-5-methyl- | 4-bromo-5-methyl-pyrimidin-2-amine

Standard CAS: 1209458-16-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1209458-16-1
Multi CAS
Yes
Molecular Formula
C5H6BrN3
Molecular Weight
188.030000
Exact Mass
186.974510
SMILES
CNC1=NC=CC(=N1)Br
InChI
InChI=1S/C5H6BrN3/c1-7-5-8-3-2-4(6)9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
ZODAKPDTWGOEAC-UHFFFAOYSA-N
Synonyms
4-Bromo-5-methylpyrimidin-2-amine 2-Pyrimidinamine, 4-bromo-5-methyl- 4-bromo-5-methyl-pyrimidin-2-amine MFCD13193670 SCHEMBL26658795

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.28
TPSA
37.81

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-2.96

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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