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

C12H14N2O4 — CID 153275472

IUPACmethyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnc2n(c1=O)C(C)CCC2=CO
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(6-15)10-13-5-9(12(17)18-2)11(16)14(7)10/h5-7,15H,3-4H2,1-2H3
InChIKeyYTSYPSBAUSWHFG-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.28
Rot. Bonds1

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

methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 153275472) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID153275472
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnc2n(c1=O)C(C)CCC2=CO
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(6-15)10-13-5-9(12(17)18-2)11(16)14(7)10/h5-7,15H,3-4H2,1-2H3
InChIKeyYTSYPSBAUSWHFG-UHFFFAOYSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rimazolium
CID 71940
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-, ethyl ester
CID 208414
4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-, metyl ester
CID 118082
3-Propoxycarbonyl-pyrido(1,2A)pyrimidin-4-one,4,
CID 214560
4H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-(ethoxycarbonyl)-1-ethyl-6-methyl-4-oxo-
CID 215459
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 6,7,8,9-tetrahydro-9-(hydroxyimino)-6-methyl-4-oxo-, ethyl ester
CID 135580884
ethyl (6S)-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 12473943
ethyl (9E)-9-[chloro(dimethylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 134875708
Propyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
CID 214568
9-Formyl-4-oxo-1,6,7,8-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
CID 145994433
(2E)-2-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)acetic acid
CID 12559583
[(E)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]-dimethylazanium dichloride
CID 20548222

Frequently Asked Questions

What is the IUPAC name of methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (CID 153275472) is methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is COC(=O)c1cnc2n(c1=O)C(C)CCC2=CO.
What is the InChIKey of methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is YTSYPSBAUSWHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-3-4-8(6-15)10-13-5-9(12(17)18-2)11(16)14(7)10/h5-7,15H,3-4H2,1-2H3.
What are the key properties of methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 153275472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).