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CAS 34415-10-6 4-Pyrimidinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo- molecular structure lightbox
CAS RN: 34415-10-6

4-Pyrimidinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo-

  • Product code: SSC-140853
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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: 5g
  • 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 34415-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

34415-10-6 / 2-methyl-6-oxo-1H-pyrimidine-4-carboxylic acid

Standard CAS: 34415-10-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34415-10-6
Multi CAS
Yes
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
InChI
InChI=1S/C6H6N2O3/c1-3-7-4(6(10)11)2-5(9)8-3/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKey
JCAQKHMWADMPHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.55
TPSA
83.05

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-1
Consensus LogP
-0.47
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.82

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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