2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H19N3O — CID 39347502

IUPAC2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C12H19N3O/c1-9-10(6-7-13-2)12(16)15-8-4-3-5-11(15)14-9/h13H,3-8H2,1-2H3
InChIKeyRAYOJSQPABNWNS-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.65
Rot. Bonds3

About 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 39347502) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID39347502
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C12H19N3O/c1-9-10(6-7-13-2)12(16)15-8-4-3-5-11(15)14-9/h13H,3-8H2,1-2H3
InChIKeyRAYOJSQPABNWNS-UHFFFAOYSA-N
XLogP0.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 39347502) is 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CNCCc1c(C)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RAYOJSQPABNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-10(6-7-13-2)12(16)15-8-4-3-5-11(15)14-9/h13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 39347502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).