CAS RN: 120503-69-7
2-Amino-6-cyclopropylamino-9H-purine
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS120503-69-7
- Purity/Analytical Methods: >99.0%
120503-69-7 / 6-N-cyclopropyl-7H-purine-2,6-diamine
N6-Cyclopropyl-9H-purine-2,6-diamine | 2-amino-6-cyclopropylamino-9h-purine | 2-Amino-6-cyclopropylaminopurine
Basic Information
CAS
120503-69-7
Multi CAS
Yes
Molecular Formula
C8H10N6
Molecular Weight
190.210000
Exact Mass
190.096694
SMILES
C1CC1NC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C8H10N6/c9-8-13-6-5(10-3-11-6)7(14-8)12-4-1-2-4/h3-4H,1-2H2,(H4,9,10,11,12,13,14)
InChIKey
IYWUSKBMXQERLH-UHFFFAOYSA-N
Synonyms
N6-Cyclopropyl-9H-purine-2,6-diamine
2-amino-6-cyclopropylamino-9h-purine
2-Amino-6-cyclopropylaminopurine
Cyclopropyldiaminopurine abacavir
Y5E53WSA7U
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
52.74
TPSA
92.51
LogP / Solubility
WLOGP
0.51
MLOGP
0.45
XLogP3
0.3
Consensus LogP
0.42
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.52
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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