(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

C14H19N5O — CID 134875676

IUPAC(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCN/C(=C1\CCC(C)n2c1ncc(C#N)c2=O)N(C)C
InChIInChI=1S/C14H19N5O/c1-9-5-6-11(12(16-2)18(3)4)13-17-8-10(7-15)14(20)19(9)13/h8-9,16H,5-6H2,1-4H3/b12-11-
InChIKeyNSQJUYGIEGWQBX-QXMHVHEDSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds2

About (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 134875676) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID134875676
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCN/C(=C1\CCC(C)n2c1ncc(C#N)c2=O)N(C)C
InChIInChI=1S/C14H19N5O/c1-9-5-6-11(12(16-2)18(3)4)13-17-8-10(7-15)14(20)19(9)13/h8-9,16H,5-6H2,1-4H3/b12-11-
InChIKeyNSQJUYGIEGWQBX-QXMHVHEDSA-N
XLogP0.92
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

(9E)-9-[chloro(dimethylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 134875553
(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 134875655
3-cyano-N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide
CID 137280904
(3-cyano-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl-dimethylazanium chloride
CID 53633443
[(E)-(3-cyano-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]-dimethylazanium dichloride
CID 88749506
(3-cyano-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl-dimethylazanium dichloride
CID 140335296
(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 15570128
9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 53633444

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (CID 134875676) is (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile is CN/C(=C1\CCC(C)n2c1ncc(C#N)c2=O)N(C)C.
What is the InChIKey of (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is NSQJUYGIEGWQBX-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-5-6-11(12(16-2)18(3)4)13-17-8-10(7-15)14(20)19(9)13/h8-9,16H,5-6H2,1-4H3/b12-11-.
What are the key properties of (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 134875676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).