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CAS 499209-19-7 Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate molecular structure lightbox
CAS RN: 499209-19-7

Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS499209-19-7
  • Purity/Analytical Methods: >99.0%
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499209-19-7 / ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate

Standard CAS: 499209-19-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499209-19-7
Multi CAS
No
Molecular Formula
C9H13N3O3
Molecular Weight
211.220000
Exact Mass
211.095691
InChI
InChI=1S/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
InChIKey
QQVHAVBZUUKKSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54.34
TPSA
98.07

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.2
XLogP3
-0.8
Consensus LogP
-0.41
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

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

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