3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride

Name: 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
SKU: PI93076030
Rating: 5 (1 reviews)

Cat. No.: PI93076030

Product Details Other Identifiers Computed Properties

CAS	93076-03-0
Purity	98%
Molecular Formula	C11H16Cl2N2O
Molecular Weight	263.16
Molar Refractivity	68.72

Pubchem ID	15605782
InChI Key	OPYLAGAQMHMBNY-UHFFFAOYSA-N
MDL Number	MFCD09031252

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	34.89 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.64
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	1.89
Log Po/w (WLOGP)	2.47
Log Po/w (MLOGP)	2.26
Log Po/w (SILICOS-IT)	3.11
Consensus Log Po/w	1.95
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.56 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	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.72

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