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CAS 2814-20-2 2-ISOPROPYL-6-METHYL-4-PYRIMIDINOL molecular structure lightbox
CAS RN: 2814-20-2

2-ISOPROPYL-6-METHYL-4-PYRIMIDINOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-128856
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2814-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

2814-20-2 / 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

Standard CAS: 2814-20-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2814-20-2
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
CC1=CC(=O)NC(=N1)C(C)C
InChI
InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKey
AJPIUNPJBFBUKK-UHFFFAOYSA-N

Physical Properties

Physical Description
Beige needles

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.68
TPSA
45.75

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
0.7
Consensus LogP
0.98
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.8

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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