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CAS 51727-06-1 5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-methyl-2,6-dioxo- molecular structure lightbox
CAS RN: 51727-06-1

5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-

  • Product code: SSC-158675
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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: 1g
  • Available purity: ≥95%
  • 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 51727-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

51727-06-1 / 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

Standard CAS: 51727-06-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51727-06-1
Multi CAS
Yes
Molecular Formula
C6H6N2O4
Molecular Weight
170.120000
Exact Mass
170.032757
InChI
InChI=1S/C6H6N2O4/c1-8-4(9)3(5(10)11)2-7-6(8)12/h2H,1H3,(H,7,12)(H,10,11)
InChIKey
HUEHCDQZTHOZAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.26
TPSA
92.16

LogP / Solubility

WLOGP
-1.23
MLOGP
-1.08
XLogP3
-0.5
Consensus LogP
-0.94
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.13
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.63

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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