CAS RN: 663619-89-4

4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, 7-METHYL-2-(4-MORPHOLINYL)-9-[1-(PHENYLAMINO)ETHYL]-

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  • Product code: starshine_CAS663619-89-4
  • Purity/Analytical Methods: >99.0%
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663619-89-4 / 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

Standard CAS: 663619-89-4 Multi CAS: Yes

Basic Information

CAS
663619-89-4
Multi CAS
Yes
Molecular Formula
C21H24N4O2
Molecular Weight
364.400000
Exact Mass
364.189926
InChI
InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
InChIKey
CPRAGQJXBLMUEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
107.71
TPSA
58.87

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
1.9
Consensus LogP
2.53
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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