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CAS 112451-28-2 2-(6-Methyl-Pyridin-2-Yl)-6-Methyl-Pyrimidin-4-Ol molecular structure lightbox
CAS RN: 112451-28-2

2-(6-Methyl-Pyridin-2-Yl)-6-Methyl-Pyrimidin-4-Ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS112451-28-2
  • Purity/Analytical Methods: >99.0%
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112451-28-2 / 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one

2-(6-Methyl-Pyridin-2-Yl)-6-Methyl-Pyrimidin-4-Ol | 4(1H)-Pyrimidinone, 6-methyl-2-(6-methyl-2-pyridinyl)- | 6-Methyl-2-(6-methylpyridin-2-yl)pyrimidin-4-ol

Standard CAS: 112451-28-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112451-28-2
Multi CAS
Yes
Molecular Formula
C11H11N3O
Molecular Weight
201.220000
Exact Mass
201.090212
SMILES
CC1=NC(=CC=C1)C2=NC(=CC(=O)N2)C
InChI
InChI=1S/C11H11N3O/c1-7-4-3-5-9(12-7)11-13-8(2)6-10(15)14-11/h3-6H,1-2H3,(H,13,14,15)
InChIKey
JZIQCPDKFNLWKT-UHFFFAOYSA-N
Synonyms
2-(6-Methyl-Pyridin-2-Yl)-6-Methyl-Pyrimidin-4-Ol 4(1H)-Pyrimidinone, 6-methyl-2-(6-methyl-2-pyridinyl)- 6-Methyl-2-(6-methylpyridin-2-yl)pyrimidin-4-ol 4-methyl-2-(6-methylpyridin-2-yl)-1H-pyrimidin-6-one 6-METHYL-2-(6-METHYLPYRIDIN-2-YL)-1H-PYRIMIDIN-4-ONE

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.56
TPSA
58.64

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1
Consensus LogP
1.24
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.92

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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