4-(3-Pyridinyl)-2-aminopyrimidine

Cat. No.: PI66521662

Product Details Other Identifiers Computed Properties

CAS	66521-66-2
Synonyms	4-(Pyridin-3-yl)pyrimidin-2-amine
Purity	97%
Molecular Formula	C9H8N4
Molecular Weight	172.19
Molar Refractivity	49.67

Pubchem ID	12450582
InChI Key	LQHQKYWYKPLKCH-UHFFFAOYSA-N
MDL Number	MFCD01317832

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	64.69 Å²
Heavy Atom Count	13
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.25
Log Po/w (XLOGP3)	0.45
Log Po/w (WLOGP)	1.13
Log Po/w (MLOGP)	-0.04
Log Po/w (SILICOS-IT)	1.25
Consensus Log Po/w	0.81
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-7.03 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.03

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