CAS 1207174-94-4

1 2D Structure

CAS 1207174-94-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methoxy-5-methyl-4-piperidin-3-ylpyrimidine

2.1.2 InChI

InChI=1S/C11H17N3O/c1-8-6-13-11(15-2)14-10(8)9-4-3-5-12-7-9/h6,9,12H,3-5,7H2,1-2H3

2.1.3 InChI Key

KGTJHUUUIJSMEA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CN=C(N=C1C2CCCNC2)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1207174-94-4

2. 2-methoxy-5-methyl-4-piperidin-3-ylpyrimidine

3. Db-012019

4. Ft-0732951

2.3 Create Date

2010-06-17

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇N₃O
Molecular Weight	207.27 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	207.137162174 g/mol
Monoisotopic Mass	207.137162174 g/mol
Topological Polar Surface Area	47 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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