Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate

Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate

Cat. No.: PI53554293

Product Details Other Identifiers Computed Properties
CAS 53554-29-3
Purity 95%
Molecular Formula C8H10N2O3S
Molecular Weight 214.24
Molar Refractivity 52.67
Pubchem ID 239049
InChI Key HDIWKNXVBQPJCO-UHFFFAOYSA-N
MDL Number MFCD00023234
Hydrogen Bond Donor Count 1.0
Hydrogen Bond Acceptor Count 4.0
Rotatable Bond Count 4
Topological Polar Surface Area 97.35 Ų
Heavy Atom Count 14
Aromatic Heavy Atoms Number 6
Fraction Csp3 0.38
Log Po/w (iLOGP) 1.6
Log Po/w (XLOGP3) 0.65
Log Po/w (WLOGP) 0.67
Log Po/w (MLOGP) 0.38
Log Po/w (SILICOS-IT) 1.77
Consensus Log Po/w 1.01
GI Absorption High
BBB Permeant No
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -7.15 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 2.01

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