Unii-269Gqp5C4X

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride

2.1.2 InChI

InChI=1S/C11H17N3O.2ClH/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8;;/h2-7,12H2,1H3;2*1H

2.1.3 InChI Key

ZOOHUVPZIRFOEM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCN.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

269GQP5C4X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1333491-21-6

2. 269gqp5c4x

3. V-5537

4. 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride

5. 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidine-4-one, Dihydrochloride

6. 4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-aminoethyl)-6,7,8,9-tetrahydro-2-methyl-, Hydrochloride (1:2)

7. Unii-269gqp5c4x

8. Q27254079

2.4 Create Date

2014-03-02

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉Cl₂N₃O
Molecular Weight	280.19 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	279.0905176 g/mol
Monoisotopic Mass	279.0905176 g/mol
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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