CAS RN: 98197-14-9
4-Pyrimidinol, 6-amino-2-ethyl- (6CI)
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.20260627 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS98197-14-9
- Purity/Analytical Methods: >99.0%
98197-14-9 / 4-amino-2-ethyl-1H-pyrimidin-6-one
Basic Information
CAS
98197-14-9
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
InChI
InChI=1S/C6H9N3O/c1-2-5-8-4(7)3-6(10)9-5/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKey
ZDZSYVWSQMXSMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.65
TPSA
71.77
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.08
XLogP3
-0.7
Consensus LogP
-0.29
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.63
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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4-AMINO-2-METHANESULFONYL-PYRIMIDINE-5-CARBONITRILE
- CAS RN: 98198-13-1
- Product Code: SSC-212590
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