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CAS 19810-58-3 2-amino-6-propylpyrimidin-4-ol molecular structure lightbox
CAS RN: 19810-58-3

2-amino-6-propylpyrimidin-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19810-58-3
  • Purity/Analytical Methods: >99.0%
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19810-58-3 / 2-amino-4-propyl-1H-pyrimidin-6-one

Standard CAS: 19810-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19810-58-3
Multi CAS
No
Molecular Formula
C7H11N3O
Molecular Weight
153.180000
Exact Mass
153.090212
SMILES
CCCC1=CC(=O)NC(=N1)N
InChI
InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)
InChIKey
FSYKBAWAYYELHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.27
TPSA
71.77

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
-0.1
Consensus LogP
0.15
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.44

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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