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

C11H17N3O — CID 115025319

IUPAC2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2nc(CCN)cc(=O)n21
InChIInChI=1S/C11H17N3O/c1-8-3-2-4-10-13-9(5-6-12)7-11(15)14(8)10/h7-8H,2-6,12H2,1H3
InChIKeyXAJQGMVICLYHTQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds2

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

2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115025319) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115025319
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2nc(CCN)cc(=O)n21
InChIInChI=1S/C11H17N3O/c1-8-3-2-4-10-13-9(5-6-12)7-11(15)14(8)10/h7-8H,2-6,12H2,1H3
InChIKeyXAJQGMVICLYHTQ-UHFFFAOYSA-N
XLogP0.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
14-Methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
CID 13815434
2-tert-Butyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 13382495
2-methyl-4-(1-methylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 136483014
2-methyl-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136483017
3-(2-Aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane
CID 142867705
2-ethyl-9-hydrazinylidene-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 158135794
9-Bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 159370098
2-(2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethylazanium
CID 161646524
9-Methyl-2-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12339722
2-Ethyl-6-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 14274963

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115025319) is 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCc2nc(CCN)cc(=O)n21.
What is the InChIKey of 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XAJQGMVICLYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-3-2-4-10-13-9(5-6-12)7-11(15)14(8)10/h7-8H,2-6,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115025319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).