CAS RN: 514854-13-8
6-Ethyl-5-iodopyriMidine-2,4-diaMine
Product Availability
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5 package records1 with current stock1 grade group
- Product code: starshine_CAS514854-13-8
- Purity/Analytical Methods: >99.0%
514854-13-8 / 6-ethyl-5-iodopyrimidine-2,4-diamine
Basic Information
CAS
514854-13-8
Multi CAS
Yes
Molecular Formula
C6H9In4
Molecular Weight
264.070000
Exact Mass
263.987190
InChI
InChI=1S/C6H9IN4/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3,(H4,8,9,10,11)
InChIKey
USTNJKBQOYRJSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.95
TPSA
77.82
LogP / Solubility
WLOGP
0.81
MLOGP
0.72
XLogP3
1
Consensus LogP
0.84
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 515111-36-1 4-[3-(4-IODOPHENYL)-2-(2,4-DINITROPHENYL)-2H-5-TETRAZOLIO]-1,3-BENZENE DISULFONATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/515111-36-1.gif)
