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

C11H15N3O2 — CID 54448739

IUPAC7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)CC(C(C)=O)CC2
InChIInChI=1S/C11H15N3O2/c1-7(15)8-3-4-10-13-5-9(12-2)11(16)14(10)6-8/h5,8,12H,3-4,6H2,1-2H3
InChIKeyWTKJNIUEJBAQPP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.44
Rot. Bonds2

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

7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 54448739) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID54448739
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)CC(C(C)=O)CC2
InChIInChI=1S/C11H15N3O2/c1-7(15)8-3-4-10-13-5-9(12-2)11(16)14(10)6-8/h5,8,12H,3-4,6H2,1-2H3
InChIKeyWTKJNIUEJBAQPP-UHFFFAOYSA-N
XLogP0.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 54016263
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane
CID 143089481
N-(8-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 10680507
3-(3-acetylpiperidin-1-yl)-1H-pyrazin-2-one
CID 114570684

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 54448739) is 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CNc1cnc2n(c1=O)CC(C(C)=O)CC2.
What is the InChIKey of 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WTKJNIUEJBAQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(15)8-3-4-10-13-5-9(12-2)11(16)14(10)6-8/h5,8,12H,3-4,6H2,1-2H3.
What are the key properties of 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 54448739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).