CAS RN: 1184916-06-0
2-Amino-6-Bromo-8-Isopropyl-4-Methylpteridin-7(8H)-One
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.20260427 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1184916-06-0
- Purity/Analytical Methods: >99.0%
1184916-06-0 / 2-amino-6-bromo-4-methyl-8-propan-2-ylpteridin-7-one
2-amino-6-bromo-8-isopropyl-4-methylpteridin-7(8H)-one | 2-amino-6-bromo-4-methyl-8-propan-2-ylpteridin-7-one | 6-bromo-2-imino-4-methyl-8-(propan-2-yl)-2,3,7,8-tetrahydropteridin-7-one
Basic Information
CAS
1184916-06-0
Multi CAS
Yes
Molecular Formula
C10H12BrN5O
Molecular Weight
298.140000
Exact Mass
297.022520
SMILES
CC1=C2C(=NC(=N1)N)N(C(=O)C(=N2)Br)C(C)C
InChI
InChI=1S/C10H12BrN5O/c1-4(2)16-8-6(14-7(11)9(16)17)5(3)13-10(12)15-8/h4H,1-3H3,(H2,12,13,15)
InChIKey
KSEXJWDVOBFVRY-UHFFFAOYSA-N
Synonyms
2-amino-6-bromo-8-isopropyl-4-methylpteridin-7(8H)-one
2-amino-6-bromo-4-methyl-8-propan-2-ylpteridin-7-one
6-bromo-2-imino-4-methyl-8-(propan-2-yl)-2,3,7,8-tetrahydropteridin-7-one
C10H12BrN5O
MFCD31802558
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
68.83
TPSA
86.69
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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