ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate

C18H20N4O5 — CID 18442536

IUPACethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC(=O)N(C)N2C
InChIInChI=1S/C18H20N4O5/c1-4-26-17(25)14-15(27-11-12-8-6-5-7-9-12)16(24)22-10-13(23)20(2)21(3)18(22)19-14/h5-9H,4,10-11H2,1-3H3
InChIKeyFLLQMEFODKPWGF-UHFFFAOYSA-N
MW372.38 g/mol
LogP0.82
Rot. Bonds5

About ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate

ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate (PubChem CID 18442536) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate
PubChem CID18442536
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Nameethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC(=O)N(C)N2C
InChIInChI=1S/C18H20N4O5/c1-4-26-17(25)14-15(27-11-12-8-6-5-7-9-12)16(24)22-10-13(23)20(2)21(3)18(22)19-14/h5-9H,4,10-11H2,1-3H3
InChIKeyFLLQMEFODKPWGF-UHFFFAOYSA-N
XLogP0.82
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-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

ethyl 6,9-dioxo-5-phenylmethoxy-1,3,7,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4-diene-4-carboxylate
CID 58821223
ethyl 1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 58739081
ethane;ethyl 8,8-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 143150186
2,5-dioxo-6-phenylmethoxy-1,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 135772687
ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 68954171
ethane;ethyl 2-[4-(hydroxymethyl)piperidin-1-yl]-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 143867231
ethyl 2-(benzhydrylamino)-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 155590458
2-ethyl-5-oxo-6-phenylmethoxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylic acid
CID 69480779
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
CID 138512675
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate?
The IUPAC name of ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate (CID 18442536) is ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate.
What is the SMILES notation for ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate?
The canonical SMILES for ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate is CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC(=O)N(C)N2C.
What is the InChIKey of ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate?
The InChIKey is FLLQMEFODKPWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-4-26-17(25)14-15(27-11-12-8-6-5-7-9-12)16(24)22-10-13(23)20(2)21(3)18(22)19-14/h5-9H,4,10-11H2,1-3H3.
What are the key properties of ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate?
ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate is sourced from PubChem (CID 18442536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).