![CAS 1000981-74-7 3,4-DIHYDRO-1H-PYRIDO[1,2-A]PYRIMIDIN-6(2H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000981-74-7.gif)
CAS RN: 1000981-74-7
3,4-DIHYDRO-1H-PYRIDO[1,2-A]PYRIMIDIN-6(2H)-ONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1000981-74-7
- Purity/Analytical Methods: >99.0%
1000981-74-7 / 1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
1000981-74-7 | 3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one | 1,2,3,4-Tetrahydropyrido[1,2-a]pyrimidin-6-one
Basic Information
CAS
1000981-74-7
Multi CAS
Yes
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
C1CNC2=CC=CC(=O)N2C1
InChI
InChI=1S/C8H10N2O/c11-8-4-1-3-7-9-5-2-6-10(7)8/h1,3-4,9H,2,5-6H2
InChIKey
CYRXXOKSUGGUPM-UHFFFAOYSA-N
Synonyms
1000981-74-7
3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one
1,2,3,4-Tetrahydropyrido[1,2-a]pyrimidin-6-one
1H,2H,3H,4H,6H-pyrido[1,2-a]pyrimidin-6-one
6H-Pyrido[1,2-a]pyrimidin-6-one, 1,2,3,4-tetrahydro-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.81
TPSA
34.03
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
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)
-3.16
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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