2-chloro-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine

2-chloro-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine

CAS: 1408074-71-4

Formula: C11H16ClN3O

SMILES: CN1CCC(COC2=CN=C(Cl)N=C2)CC1

IUPAC: 2-chloro-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine

InChI: InChI=1S/C11H16ClN3O/c1-15-4-2-9(3-5-15)8-16-10-6-13-11(12)14-7-10/h6-7,9H,2-5,8H2,1H3

Composition: C (54.66%), H (6.67%), Cl (14.67%), N (17.38%), O (6.62%)

Molar Mass: 241.72

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.0981898
Formal Charge	0
FSP3	0.64
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KOJCOLTUVIRIGR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.95
Topological Polar Surface Area	38.25
Polarizability	24.92
Ring Count	2
Rotatable Bond Count	3

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