2,4-Dichloro-6-morpholino-1,3,5-triazine

Cat. No.: PI6601225

Product Details Other Identifiers Computed Properties

CAS	6601-22-5
Purity	97%
Molecular Formula	C7H8Cl2N4O
Molecular Weight	235.07
Molar Refractivity	55.57

Pubchem ID	81076
InChI Key	UQAMDAUJTXFNAD-UHFFFAOYSA-N
MDL Number	MFCD00460178

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	1
Topological Polar Surface Area	51.14 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.57
Log Po/w (iLOGP)	2.57
Log Po/w (XLOGP3)	1.98
Log Po/w (WLOGP)	0.63
Log Po/w (MLOGP)	0.33
Log Po/w (SILICOS-IT)	1.73
Consensus Log Po/w	1.45
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.33 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	2.13

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