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CAS 264606-77-1 ETHYL 2-HYDROXY-6-METHYLPYRIMIDINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 264606-77-1

ETHYL 2-HYDROXY-6-METHYLPYRIMIDINE-4-CARBOXYLATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS264606-77-1
  • Purity/Analytical Methods: >99.0%
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264606-77-1 / ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate

Standard CAS: 264606-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
264606-77-1
Multi CAS
No
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
SMILES
CCOC(=O)C1=NC(=O)NC(=C1)C
InChI
InChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-5(2)9-8(12)10-6/h4H,3H2,1-2H3,(H,9,10,12)
InChIKey
OPQVHMZXJNJYBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.55
TPSA
72.05

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
0.3
Consensus LogP
0.26
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.65

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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