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

C16H24N4O3 — CID 134875795

IUPACethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C(C)CC/C2=C(\NC)N(C)C
InChIInChI=1S/C16H24N4O3/c1-6-23-16(22)12-9-18-14-11(13(17-3)19(4)5)8-7-10(2)20(14)15(12)21/h9-10,17H,6-8H2,1-5H3/b13-11-
InChIKeyJBLICDHMIQGSQP-QBFSEMIESA-N
MW320.39 g/mol
LogP1.22
Rot. Bonds4

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

ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 134875795) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID134875795
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nameethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C(C)CC/C2=C(\NC)N(C)C
InChIInChI=1S/C16H24N4O3/c1-6-23-16(22)12-9-18-14-11(13(17-3)19(4)5)8-7-10(2)20(14)15(12)21/h9-10,17H,6-8H2,1-5H3/b13-11-
InChIKeyJBLICDHMIQGSQP-QBFSEMIESA-N
XLogP1.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (CID 134875795) is ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnc2n(c1=O)C(C)CC/C2=C(\NC)N(C)C.
What is the InChIKey of ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is JBLICDHMIQGSQP-QBFSEMIESA-N. The full InChI is InChI=1S/C16H24N4O3/c1-6-23-16(22)12-9-18-14-11(13(17-3)19(4)5)8-7-10(2)20(14)15(12)21/h9-10,17H,6-8H2,1-5H3/b13-11-.
What are the key properties of ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 134875795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).