CAS RN: 478258-67-2
6-CHLORO-N-METHYL-2-(METHYLSULFANYL)-4-PYRIMIDINAMINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS478258-67-2
- Purity/Analytical Methods: >99.0%
478258-67-2 / 6-chloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
Basic Information
CAS
478258-67-2
Multi CAS
Yes
Molecular Formula
C6H8CLN3S
Molecular Weight
189.670000
Exact Mass
189.012746
InChI
InChI=1S/C6H8ClN3S/c1-8-5-3-4(7)9-6(10-5)11-2/h3H,1-2H3,(H,8,9,10)
InChIKey
NHJWXOKUEKCRKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.37
TPSA
37.81
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
4-Hydroxymethylphenol 1-O-rhamnoside
- CAS RN: 478314-67-9
- Product Code: starshine_CAS478314-67-9
- Purity/Analytical method: >99.0%
-
N-[1-(phenylmethyl)-4(1H)-quinolinylidene]-1-pentanamine hydrochloride
- CAS RN: 478341-55-8
- Product Code: starshine_CAS478341-55-8
- Purity/Analytical method: >99.0%
-
4-Thiazolecarboxylicacid,2-cyclopropyl-(9CI)
- CAS RN: 478366-05-1
- Product Code: SSC-154791
![CAS 478341-55-8 N-[1-(phenylmethyl)-4(1H)-quinolinylidene]-1-pentanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/478341-55-8.gif)
