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CAS 304646-29-5 2-Methoxy-5-Nitro-4-Pyrimidinamine molecular structure lightbox
CAS RN: 304646-29-5

2-Methoxy-5-Nitro-4-Pyrimidinamine

  • Product code: SSC-134915
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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 304646-29-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

304646-29-5 / 2-methoxy-5-nitropyrimidin-4-amine

Standard CAS: 304646-29-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304646-29-5
Multi CAS
Yes
Molecular Formula
C5H6N4O3
Molecular Weight
170.130000
Exact Mass
170.043990
InChI
InChI=1S/C5H6N4O3/c1-12-5-7-2-3(9(10)11)4(6)8-5/h2H,1H3,(H2,6,7,8)
InChIKey
NTYPCKIDOSPATQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
39.65
TPSA
104.17

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.03
XLogP3
0.5
Consensus LogP
0.15
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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