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CAS 7400-06-8 6-Amino-5-(2,2-diethoxyethyl)pyrimidin-4-ol molecular structure lightbox
CAS RN: 7400-06-8

6-Amino-5-(2,2-diethoxyethyl)pyrimidin-4-ol

  • Product code: SSC-183421
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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: ＞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 7400-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

7400-06-8 / 4-amino-5-(2,2-diethoxyethyl)-1H-pyrimidin-6-one

Standard CAS: 7400-06-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7400-06-8
Multi CAS
Yes
Molecular Formula
C10H17N3O3
Molecular Weight
227.260000
Exact Mass
227.126991
InChI
InChI=1S/C10H17N3O3/c1-3-15-8(16-4-2)5-7-9(11)12-6-13-10(7)14/h6,8H,3-5H2,1-2H3,(H3,11,12,13,14)
InChIKey
DLABUHZHXFNKMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
60.01
TPSA
90.23

LogP / Solubility

WLOGP
0.29
MLOGP
0.26
XLogP3
-0.3
Consensus LogP
0.08
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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