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CAS 161611-29-6 (6-Chloro-2-Methylsulfanyl-pyriMidin-4-yl)-diMethyl-aMine molecular structure lightbox
CAS RN: 161611-29-6

(6-Chloro-2-Methylsulfanyl-pyriMidin-4-yl)-diMethyl-aMine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250203 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250109 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251129 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS161611-29-6
  • Purity/Analytical Methods: >99.0%
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161611-29-6 / 6-chloro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine

Standard CAS: 161611-29-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161611-29-6
Multi CAS
No
Molecular Formula
C7H10ClN3S
Molecular Weight
203.690000
Exact Mass
203.028396
SMILES
CN(C)C1=CC(=NC(=N1)SC)Cl
InChI
InChI=1S/C7H10ClN3S/c1-11(2)6-4-5(8)9-7(10-6)12-3/h4H,1-3H3
InChIKey
MTUMEVHOAPCFGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.15
TPSA
29.02

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.5
Consensus LogP
2.04
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.6

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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