5-Bromo-2-chloro-N-cyclopentylpyrimidin-4-amine

Cat. No.: PI733039208

Product Details Other Identifiers Computed Properties

CAS	733039-20-8
Purity	95%
Molecular Formula	C9H11BrClN3
Molecular Weight	276.56
Molar Refractivity	61.16

Pubchem ID	44248247
InChI Key	DIVUXBABVYOIOT-UHFFFAOYSA-N
MDL Number	MFCD13181206

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	37.81 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.56
Log Po/w (iLOGP)	2.79
Log Po/w (XLOGP3)	3.44
Log Po/w (WLOGP)	3.06
Log Po/w (MLOGP)	1.93
Log Po/w (SILICOS-IT)	2.84
Consensus Log Po/w	2.81
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.54 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	0.0
Synthetic Accessibility	2.07

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