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CAS 81250-34-2 5,6-Diamino-1,3-dipropylpyrimidine-2,4-(1H,3H)-dione molecular structure lightbox
CAS RN: 81250-34-2

5,6-Diamino-1,3-dipropylpyrimidine-2,4-(1H,3H)-dione

  • Product code: SSC-189771
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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: ≥98%
  • 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 81250-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

81250-34-2 / 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione

Standard CAS: 81250-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81250-34-2
Multi CAS
Yes
Molecular Formula
C10H18N4O2
Molecular Weight
226.280000
Exact Mass
226.142976
InChI
InChI=1S/C10H18N4O2/c1-3-5-13-8(12)7(11)9(15)14(6-4-2)10(13)16/h3-6,11-12H2,1-2H3
InChIKey
SVMBOONGPUFHRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.37
TPSA
96.04

LogP / Solubility

WLOGP
-0.01
XLogP3
0.2
Consensus LogP
0.06
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-4.1

Drug-likeness / Medicinal Chemistry

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

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