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Chemistry

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Also known as: 1333491-21-6, 269gqp5c4x, V-5537, 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride, 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidine-4-one, dihydrochloride, 4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-aminoethyl)-6,7,8,9-tetrahydro-2-methyl-, hydrochloride (1:2)
Molecular Formula
C11H19Cl2N3O
Molecular Weight
280.19  g/mol
InChI Key
ZOOHUVPZIRFOEM-UHFFFAOYSA-N
FDA UNII
269GQP5C4X

Unii-269Gqp5C4X
1 2D Structure

Unii-269Gqp5C4X

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 Weight 280.19 g/mol
Molecular Formula C11H19Cl2N3O
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass279.0905176 g/mol
Monoisotopic Mass279.0905176 g/mol
Topological Polar Surface Area58.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

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