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CAS 1044771-76-7 (4-Chloro-pyrimidin-2-yl)-cyclopropyl-amine molecular structure lightbox
CAS RN: 1044771-76-7

(4-Chloro-pyrimidin-2-yl)-cyclopropyl-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006278
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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 1044771-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1044771-76-7 / 4-chloro-N-cyclopropylpyrimidin-2-amine

4-CHLORO-N-CYCLOPROPYLPYRIMIDIN-2-AMINE | (4-Chloro-pyrimidin-2-yl)-cyclopropyl-amine | MFCD11046853

Standard CAS: 1044771-76-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1044771-76-7
Multi CAS
No
Molecular Formula
C7H8ClN3
Molecular Weight
169.610000
Exact Mass
169.040675
SMILES
C1CC1NC2=NC=CC(=N2)Cl
InChI
InChI=1S/C7H8ClN3/c8-6-3-4-9-7(11-6)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKey
BFFVMENGWWDLLA-UHFFFAOYSA-N
Synonyms
4-CHLORO-N-CYCLOPROPYLPYRIMIDIN-2-AMINE (4-Chloro-pyrimidin-2-yl)-cyclopropyl-amine MFCD11046853 4-Chloro-N-cyclopropyl-pyrimidin-2-amine SCHEMBL29770915

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.69
TPSA
37.81

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.54

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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