CAS RN: 208252-67-9
(4-methoxy-6-methyl-1,3,5-triazin-2yl)urea
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS208252-67-9
- Purity/Analytical Methods: >99.0%
208252-67-9 / (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Basic Information
CAS
208252-67-9
Multi CAS
No
Molecular Formula
C6H9N5O2
Molecular Weight
183.170000
Exact Mass
183.075625
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)N
InChI
InChI=1S/C6H9N5O2/c1-3-8-5(10-4(7)12)11-6(9-3)13-2/h1-2H3,(H3,7,8,9,10,11,12)
InChIKey
NEVDMPLXCGERDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
44.32
TPSA
103.02
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.28
XLogP3
-0.4
Consensus LogP
-0.33
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07
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
-
-
Ethyl2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylate
- CAS RN: 20825-87-0
- Product Code: SSC-097937
-
3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID
- CAS RN: 20825-89-2
- Product Code: SSC-097938
-
-
Methyl 2-amino-3-(pyridin-3-yl)propanoate dihydrochloride
- CAS RN: 208259-58-9
- Product Code: starshine_CAS208259-58-9
- Purity/Analytical method: >99.0%
-
![CAS 20825-87-0 Ethyl2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20825-87-0.gif)
