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CAS 179928-19-9 Pyrrolo[1,2-c]pyrimidine, 6-methyl- (9CI) molecular structure lightbox
CAS RN: 179928-19-9

Pyrrolo[1,2-c]pyrimidine, 6-methyl- (9CI)

  • Product code: SSC-080251
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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 179928-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

179928-19-9 / 6-methylpyrrolo[1,2-c]pyrimidine

Standard CAS: 179928-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179928-19-9
Multi CAS
No
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
SMILES
CC1=CN2C=NC=CC2=C1
InChI
InChI=1S/C8H8N2/c1-7-4-8-2-3-9-6-10(8)5-7/h2-6H,1H3
InChIKey
HWGQEDAZWIFUQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
39.93
TPSA
17.3

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
2.2
Consensus LogP
1.76
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

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

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