![CAS 56066-63-8 5-[(4-dimethylamino-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56066-63-8.gif)
CAS RN: 56066-63-8
5-[(4-dimethylamino-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine
Product Availability
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5 package records3 with current stock1 grade group
- Product code: starshine_CAS56066-63-8
- Purity/Analytical Methods: >99.0%
56066-63-8 / 5-[[4-(dimethylamino)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
Basic Information
CAS
56066-63-8
Multi CAS
No
Molecular Formula
C15H21N5O2
Molecular Weight
303.360000
Exact Mass
303.169525
InChI
InChI=1S/C15H21N5O2/c1-20(2)13-11(21-3)6-9(7-12(13)22-4)5-10-8-18-15(17)19-14(10)16/h6-8H,5H2,1-4H3,(H4,16,17,18,19)
InChIKey
QBQMXWZTRRWPGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
87.54
TPSA
99.52
LogP / Solubility
WLOGP
1.31
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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- CAS RN: 56070-89-4
- Product Code: starshine_CAS56070-89-4
- Purity/Analytical method: >99.0%
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