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CAS 274-78-2 Imidazo[1,2-c]pyrimidine molecular structure lightbox
CAS RN: 274-78-2

Imidazo[1,2-c]pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: LINI901964
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274-78-2 / imidazo[1,2-c]pyrimidine

Standard CAS: 274-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
274-78-2
Multi CAS
No
Molecular Formula
C6H5N3
Molecular Weight
119.120000
Exact Mass
119.048347
SMILES
C1=CN=CN2C1=NC=C2
InChI
InChI=1S/C6H5N3/c1-2-7-5-9-4-3-8-6(1)9/h1-5H
InChIKey
PQWQQQGKMHENOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
32.99
TPSA
30.19

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
1.1
Consensus LogP
0.82
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-2.93

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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