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CAS 65004-42-4 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol molecular structure lightbox
CAS RN: 65004-42-4

2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250428 100mg In stock Shanghai Inquiry
Batchno.20250316 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251220 1g In stock Shanghai Inquiry
Batchno.20251027 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS65004-42-4
  • Purity/Analytical Methods: >99.0%
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65004-42-4 / 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

Standard CAS: 65004-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65004-42-4
Multi CAS
No
Molecular Formula
C10H12N4O
Molecular Weight
204.230000
Exact Mass
204.101111
InChI
InChI=1S/C10H12N4O/c1-6-5-9(15)12-10(11-6)14-8(3)4-7(2)13-14/h4-5H,1-3H3,(H,11,12,15)
InChIKey
XIFVEJXUSTTZKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.19
TPSA
63.57

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
0.9
Consensus LogP
0.85
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.34

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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