9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C12H17N3O — CID 54446952

IUPAC9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(=CN(C)C)c2nccc(=O)n21
InChIInChI=1S/C12H17N3O/c1-9-4-5-10(8-14(2)3)12-13-7-6-11(16)15(9)12/h6-9H,4-5H2,1-3H3
InChIKeyIVJYEYAFMLOXPJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.50
Rot. Bonds1

About 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 54446952) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID54446952
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(=CN(C)C)c2nccc(=O)n21
InChIInChI=1S/C12H17N3O/c1-9-4-5-10(8-14(2)3)12-13-7-6-11(16)15(9)12/h6-9H,4-5H2,1-3H3
InChIKeyIVJYEYAFMLOXPJ-UHFFFAOYSA-N
XLogP1.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
3,6-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 601212
3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one
CID 102163879
(9E)-9-[chloro(dimethylamino)methylidene]-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 134875572
(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 134875655
dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride
CID 54446951
dimethyl-[(E)-(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium dichloride
CID 88749457
3-Butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 89638295
3-Butyl-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 90084628
9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 137232310
dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium dichloride
CID 140335295
3-Cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one
CID 174592068

Frequently Asked Questions

What is the IUPAC name of 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 54446952) is 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is CC1CCC(=CN(C)C)c2nccc(=O)n21.
What is the InChIKey of 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IVJYEYAFMLOXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-4-5-10(8-14(2)3)12-13-7-6-11(16)15(9)12/h6-9H,4-5H2,1-3H3.
What are the key properties of 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 54446952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).