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CAS 722467-81-4 6-AMINO-5-BENZYLAMINO-1-(2-METHOXY-ETHYL)-1H-PYRIMIDINE-2,4-DIONE molecular structure lightbox
CAS RN: 722467-81-4

6-AMINO-5-BENZYLAMINO-1-(2-METHOXY-ETHYL)-1H-PYRIMIDINE-2,4-DIONE

  • Product code: SSC-181805
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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
  • 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 722467-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

722467-81-4 / 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione

Standard CAS: 722467-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
722467-81-4
Multi CAS
No
Molecular Formula
C14H18N4O3
Molecular Weight
290.320000
Exact Mass
290.137890
InChI
InChI=1S/C14H18N4O3/c1-21-8-7-18-12(15)11(13(19)17-14(18)20)16-9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20)
InChIKey
FGUMUZKTCACZCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
81.38
TPSA
102.14

LogP / Solubility

WLOGP
0.38
MLOGP
0.34
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-4.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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