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CAS 5661-01-8 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one molecular structure lightbox
CAS RN: 5661-01-8

1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

  • Product code: SSC-164618
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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: 5g
  • 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 5661-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

5661-01-8 / 4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Standard CAS: 5661-01-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5661-01-8
Multi CAS
Yes
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
InChI
InChI=1S/C7H8N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h4-5H,1-3H2
InChIKey
JTGISDCCNCPCRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
H-bond acceptors
2
Molar refractivity
38.28
TPSA
41.79

LogP / Solubility

WLOGP
0.8
MLOGP
0.69
XLogP3
0.1
Consensus LogP
0.53
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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