![CAS 1884246-71-2 4-Pyrimidinecarboxylic acid, 6-[(1-acetyl-4-piperidinyl)amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884246-71-2.gif)
CAS RN: 1884246-71-2
4-Pyrimidinecarboxylic acid, 6-[(1-acetyl-4-piperidinyl)amino]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250414 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1884246-71-2
- Purity/Analytical Methods: >99.0%
1884246-71-2 / 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylic acid
Basic Information
CAS
1884246-71-2
Multi CAS
No
Molecular Formula
C12H16N4O3
Molecular Weight
264.280000
Exact Mass
264.122240
SMILES
CC(=O)N1CCC(CC1)NC2=NC=NC(=C2)C(=O)O
InChI
InChI=1S/C12H16N4O3/c1-8(17)16-4-2-9(3-5-16)15-11-6-10(12(18)19)13-7-14-11/h6-7,9H,2-5H2,1H3,(H,18,19)(H,13,14,15)
InChIKey
NXTBKOCHKRQULO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.89
TPSA
95.42
LogP / Solubility
WLOGP
0.6
MLOGP
0.53
XLogP3
0.4
Consensus LogP
0.51
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
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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