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

C11H19Cl2N3O — CID 72942019

IUPAC3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCc1nc2n(c(=O)c1CCN)CCCC2.Cl.Cl
InChIInChI=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
InChIKeyZOOHUVPZIRFOEM-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.23
Rot. Bonds2

About 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-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride (PubChem CID 72942019) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride
PubChem CID72942019
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCc1nc2n(c(=O)c1CCN)CCCC2.Cl.Cl
InChIInChI=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
InChIKeyZOOHUVPZIRFOEM-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride (CID 72942019) is 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride is Cc1nc2n(c(=O)c1CCN)CCCC2.Cl.Cl.
What is the InChIKey of 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The InChIKey is ZOOHUVPZIRFOEM-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 72942019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).