CAS RN: 775351-65-0
1,3,5-Triazine-2,4-diamine,1,6-dihydro-N,N,6-trimethyl-,(+)-(9CI)
Product Availability
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5 package records0 with current stock1 grade group
- Product code: starshine_CAS775351-65-0
- Purity/Analytical Methods: >99.0%
775351-65-0 / 6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
Basic Information
CAS
775351-65-0
Multi CAS
Yes
Molecular Formula
C6H13N5
Molecular Weight
155.200000
Exact Mass
155.117095
InChI
InChI=1S/C6H13N5/c1-4-8-5(7)10-6(9-4)11(2)3/h4H,1-3H3,(H3,7,8,9,10)/t4-/m1/s1
InChIKey
GFICWFZTBXUVIG-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
45.34
TPSA
66.01
LogP / Solubility
WLOGP
-0.83
MLOGP
-0.74
XLogP3
-1
Consensus LogP
-0.86
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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