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CAS 90091-19-3 5-Pyrimidinepropanoicacid, 2-amino-1,6-dihydro-4-methyl-6-oxo- molecular structure lightbox
CAS RN: 90091-19-3

5-Pyrimidinepropanoicacid, 2-amino-1,6-dihydro-4-methyl-6-oxo-

  • Product code: SSC-202529
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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 90091-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

90091-19-3 / 3-(2-amino-4-methyl-6-oxo-5H-pyrimidin-5-yl)propanoic acid

Standard CAS: 90091-19-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90091-19-3
Multi CAS
Yes
Molecular Formula
C8H11N3O3
Molecular Weight
197.190000
Exact Mass
197.080041
InChI
InChI=1S/C8H11N3O3/c1-4-5(2-3-6(12)13)7(14)11-8(9)10-4/h2-3H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKey
KLSOIGCJUZQUEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.1
TPSA
105.11

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.19
XLogP3
-1
Consensus LogP
-0.47
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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