(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

C13H16N4O — CID 15570128

IUPAC(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CC/C(=C\N(C)C)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C13H16N4O/c1-9-4-5-10(8-16(2)3)12-15-7-11(6-14)13(18)17(9)12/h7-9H,4-5H2,1-3H3/b10-8+
InChIKeyKJLGFNYHVZBPSL-CSKARUKUSA-N
MW244.30 g/mol
LogP1.37
Rot. Bonds1

About (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 15570128) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID15570128
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CC/C(=C\N(C)C)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C13H16N4O/c1-9-4-5-10(8-16(2)3)12-15-7-11(6-14)13(18)17(9)12/h7-9H,4-5H2,1-3H3/b10-8+
InChIKeyKJLGFNYHVZBPSL-CSKARUKUSA-N
XLogP1.37
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 601212
(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-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 134875676
6-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile
CID 12762253
(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-(ethoxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 12846416
(9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 13492195
9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 53633444
9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 54446952
1,3,6-Trimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium
CID 71441681

Frequently Asked Questions

What is the IUPAC name of (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (CID 15570128) is (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile is CC1CC/C(=C\N(C)C)c2ncc(C#N)c(=O)n21.
What is the InChIKey of (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is KJLGFNYHVZBPSL-CSKARUKUSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-5-10(8-16(2)3)12-15-7-11(6-14)13(18)17(9)12/h7-9H,4-5H2,1-3H3/b10-8+.
What are the key properties of (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 15570128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).