dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride

C12H18ClN3O — CID 54446951

IUPACdimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride
SMILESCC1CCC(=C[NH+](C)C)c2nccc(=O)n21.[Cl-]
InChIInChI=1S/C12H17N3O.ClH/c1-9-4-5-10(8-14(2)3)12-13-7-6-11(16)15(9)12;/h6-9H,4-5H2,1-3H3;1H
InChIKeyBNDKKLSRNGPXEE-UHFFFAOYSA-N
MW255.75 g/mol
LogP-2.91
Rot. Bonds1

About dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride

dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride (PubChem CID 54446951) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride
PubChem CID54446951
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Namedimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride
SMILESCC1CCC(=C[NH+](C)C)c2nccc(=O)n21.[Cl-]
InChIInChI=1S/C12H17N3O.ClH/c1-9-4-5-10(8-14(2)3)12-13-7-6-11(16)15(9)12;/h6-9H,4-5H2,1-3H3;1H
InChIKeyBNDKKLSRNGPXEE-UHFFFAOYSA-N
XLogP-2.91
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 5-2.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride with MolForge

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Related Compounds

(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
(3-cyano-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl-dimethylazanium chloride
CID 53633443
dimethyl-[(E)-(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium dichloride
CID 88749457
[(E)-(3-cyano-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]-dimethylazanium dichloride
CID 88749506
dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium dichloride
CID 140335295
(3-cyano-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl-dimethylazanium dichloride
CID 140335296
9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 54446952
(9E)-9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 88749458
9-Methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054756

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride?
The IUPAC name of dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride (CID 54446951) is dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride.
What is the SMILES notation for dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride?
The canonical SMILES for dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride is CC1CCC(=C[NH+](C)C)c2nccc(=O)n21.[Cl-].
What is the InChIKey of dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride?
The InChIKey is BNDKKLSRNGPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-9-4-5-10(8-14(2)3)12-13-7-6-11(16)15(9)12;/h6-9H,4-5H2,1-3H3;1H.
What are the key properties of dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride?
dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride has a molecular weight of 255.75 g/mol, XLogP of -2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]azanium chloride is sourced from PubChem (CID 54446951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).