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CAS 78727-16-9 N-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE molecular structure lightbox
CAS RN: 78727-16-9

N-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE

  • Product code: SSC-188057
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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: ＞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 78727-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

78727-16-9 / N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Standard CAS: 78727-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78727-16-9
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
InChI
InChI=1S/C7H8N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-4H,1H3,(H2,8,9,10,11)
InChIKey
AXWBJJJQRJBTMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.44
TPSA
53.6

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.91

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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