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CAS 1249603-83-5 4-chloro-6-(cyclopropylmethoxy)pyrimidine molecular structure lightbox
CAS RN: 1249603-83-5

4-chloro-6-(cyclopropylmethoxy)pyrimidine

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Batchno.20250923 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1249603-83-5
  • Purity/Analytical Methods: >99.0%
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1249603-83-5 / 4-chloro-6-(cyclopropylmethoxy)pyrimidine

Standard CAS: 1249603-83-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1249603-83-5
Multi CAS
No
Molecular Formula
C8H9ClN2O
Molecular Weight
184.620000
Exact Mass
184.040341
SMILES
C1CC1COC2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H9ClN2O/c9-7-3-8(11-5-10-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKey
JNNBMKRJHQQLMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
45.26
TPSA
35.01

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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