CAS RN: 14278-61-6
4-Pyrimidinol, 6-amino-2,5-dimethyl- (7CI,8CI)
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.20260117 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS14278-61-6
- Purity/Analytical Methods: >99.0%
14278-61-6 / 4-amino-2,5-dimethyl-1H-pyrimidin-6-one
Basic Information
CAS
14278-61-6
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
SMILES
CC1=C(N=C(NC1=O)C)N
InChI
InChI=1S/C6H9N3O/c1-3-5(7)8-4(2)9-6(3)10/h1-2H3,(H3,7,8,9,10)
InChIKey
FTWYAOBHRPLHQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.74
TPSA
71.77
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.8
Consensus LogP
-0.29
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very 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)
-3.59
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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