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CAS 1434128-52-5 2-AMinopyrido[3,4-d]pyriMidin-4(3H)-one molecular structure lightbox
CAS RN: 1434128-52-5

2-AMinopyrido[3,4-d]pyriMidin-4(3H)-one

  • Product code: SSC-054840
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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: 0.25g, 1g
  • 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 1434128-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

1434128-52-5 / 2-amino-3H-pyrido[3,4-d]pyrimidin-4-one

Standard CAS: 1434128-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434128-52-5
Multi CAS
No
Molecular Formula
C7H6N4O
Molecular Weight
162.150000
Exact Mass
162.054161
SMILES
C1=CN=CC2=C1C(=O)NC(=N2)N
InChI
InChI=1S/C7H6N4O/c8-7-10-5-3-9-2-1-4(5)6(12)11-7/h1-3H,(H3,8,10,11,12)
InChIKey
AUABAUOBYXWSKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.57
TPSA
84.66

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
-1
Consensus LogP
-0.4
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-3.78

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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