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CAS 1192814-34-8 6-(PYRIDIN-3-YL)PYRIMIDIN-4-AMINE molecular structure lightbox
CAS RN: 1192814-34-8

6-(PYRIDIN-3-YL)PYRIMIDIN-4-AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1192814-34-8
  • Purity/Analytical Methods: >99.0%
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1192814-34-8 / 6-pyridin-3-ylpyrimidin-4-amine

6-(pyridin-3-yl)pyrimidin-4-amine | MFCD21234637 | 6-pyridin-3-ylpyrimidin-4-amine

Standard CAS: 1192814-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1192814-34-8
Multi CAS
No
Molecular Formula
C9H8N4
Molecular Weight
172.190000
Exact Mass
172.074896
SMILES
C1=CC(=CN=C1)C2=CC(=NC=N2)N
InChI
InChI=1S/C9H8N4/c10-9-4-8(12-6-13-9)7-2-1-3-11-5-7/h1-6H,(H2,10,12,13)
InChIKey
VPRKGLYZWQCCHU-UHFFFAOYSA-N
Synonyms
6-(pyridin-3-yl)pyrimidin-4-amine MFCD21234637 6-pyridin-3-ylpyrimidin-4-amine SCHEMBL558195 SCHEMBL30507429

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.68
TPSA
64.69

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.4
Consensus LogP
0.83
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-2.97

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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