![CAS 714214-12-7 2-{[(4-chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/714214-12-7.gif)
CAS RN: 714214-12-7
2-{[(4-chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS714214-12-7
- Purity/Analytical Methods: >99.0%
714214-12-7 / 2-[(4-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
Basic Information
CAS
714214-12-7
Multi CAS
No
Molecular Formula
C12H12CLN3O
Molecular Weight
249.690000
Exact Mass
249.066890
InChI
InChI=1S/C12H12ClN3O/c1-8-6-11(17)16-12(15-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKey
MKLNWHIFBWASRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.37
TPSA
57.78
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
1.6
Consensus LogP
2
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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