CAS RN: 497818-07-2
5-Pyrimidinemethanamine, N-methyl- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS497818-07-2
- Purity/Analytical Methods: >99.0%
497818-07-2 / N-methyl-1-pyrimidin-5-ylmethanamine
Basic Information
CAS
497818-07-2
Multi CAS
No
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
InChI
InChI=1S/C6H9N3/c1-7-2-6-3-8-5-9-4-6/h3-5,7H,2H2,1H3
InChIKey
XOXVBDCJZLBOAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.8
TPSA
37.81
LogP / Solubility
WLOGP
0.2
MLOGP
0.16
XLogP3
-0.4
Consensus LogP
-0.01
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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