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CAS 286430-67-9 5-CHLORO-6-METHYL-2-(2-PYRIDYL)PYRIMIDIN-4-OL molecular structure lightbox
CAS RN: 286430-67-9

5-CHLORO-6-METHYL-2-(2-PYRIDYL)PYRIMIDIN-4-OL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS286430-67-9
  • Purity/Analytical Methods: >99.0%
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286430-67-9 / 5-chloro-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

Standard CAS: 286430-67-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
286430-67-9
Multi CAS
Yes
Molecular Formula
C10H8CLN3O
Molecular Weight
221.640000
Exact Mass
221.035590
InChI
InChI=1S/C10H8ClN3O/c1-6-8(11)10(15)14-9(13-6)7-4-2-3-5-12-7/h2-5H,1H3,(H,13,14,15)
InChIKey
OJQCKFYDDABJEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.84
TPSA
58.64

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

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

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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