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

C13H21N3O2 — CID 143089481

IUPAC6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CNc1cnc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C11H15N3O2.C2H6/c1-7(15)9-4-3-5-10-13-6-8(12-2)11(16)14(9)10;1-2/h6,9,12H,3-5H2,1-2H3;1-2H3
InChIKeyCYHUAWSOIWFRHU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds2

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

6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane (PubChem CID 143089481) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane
PubChem CID143089481
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CNc1cnc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C11H15N3O2.C2H6/c1-7(15)9-4-3-5-10-13-6-8(12-2)11(16)14(9)10;1-2/h6,9,12H,3-5H2,1-2H3;1-2H3
InChIKeyCYHUAWSOIWFRHU-UHFFFAOYSA-N
XLogP1.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 20671573
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 54016263
6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 54424101
7-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 54448739
(6R)-6-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 58700505
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrazin-4-one
CID 58849747
6-Acetyl-3-(dimethylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 68027779
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 10703524
6-Methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 21057213
3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one
CID 114570686
3-Amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115015394
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane?
The IUPAC name of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane (CID 143089481) is 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane.
What is the SMILES notation for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane?
The canonical SMILES for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane is CC.CNc1cnc2n(c1=O)C(C(C)=O)CCC2.
What is the InChIKey of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane?
The InChIKey is CYHUAWSOIWFRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C2H6/c1-7(15)9-4-3-5-10-13-6-8(12-2)11(16)14(9)10;1-2/h6,9,12H,3-5H2,1-2H3;1-2H3.
What are the key properties of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane?
6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 251.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 143089481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).