CAS RN: 17759-40-9
(4-Methyl-2-(methylthio)pyrimidin-5-yl)methanol
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: LINM900282
17759-40-9 / (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
Basic Information
CAS
17759-40-9
Multi CAS
No
Molecular Formula
C7H10N2OS
Molecular Weight
170.230000
Exact Mass
170.051384
SMILES
CC1=NC(=NC=C1CO)SC
InChI
InChI=1S/C7H10N2OS/c1-5-6(4-10)3-8-7(9-5)11-2/h3,10H,4H2,1-2H3
InChIKey
KZDAADJPBWUPQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.47
TPSA
46.01
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.05
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-Methoxycarbonylbenzyl) triphenylphosphine bromide
- CAS RN: 1253-46-9
- Product Code: SSC-030018
-
-
(4AS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione
- CAS RN: 852821-06-8
- Product Code: SSC-193606
-
(4aS,9bR)-6-Bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- CAS RN: 1059630-07-7
- Product Code: SSC-007597
-
-
(2S,4R)-1-((9H-Fluoren-9-yl)methyl) 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate, 97%(HPLC)
- CAS RN: 122350-59-8
- Product Code: SSC-025300
![CAS 852821-06-8 (4AS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/852821-06-8.png)
![CAS 1059630-07-7 (4aS,9bR)-6-Bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1059630-07-7.png)
