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

C11H17N3O — CID 115025318

IUPAC2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCc2nc(CCN)cc(=O)n2C1
InChIInChI=1S/C11H17N3O/c1-8-2-3-10-13-9(4-5-12)6-11(15)14(10)7-8/h6,8H,2-5,7,12H2,1H3
InChIKeyDQMMIBMYJNGBLR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.33
Rot. Bonds2

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

2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115025318) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115025318
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCc2nc(CCN)cc(=O)n2C1
InChIInChI=1S/C11H17N3O/c1-8-2-3-10-13-9(4-5-12)6-11(15)14(10)7-8/h6,8H,2-5,7,12H2,1H3
InChIKeyDQMMIBMYJNGBLR-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115025318) is 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCc2nc(CCN)cc(=O)n2C1.
What is the InChIKey of 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DQMMIBMYJNGBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-3-10-13-9(4-5-12)6-11(15)14(10)7-8/h6,8H,2-5,7,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115025318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).