4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one

C54H48N12O12 — CID 159327026

IUPAC4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one
SMILESCc1cc(=O)c2c(C)ncnc2o1.Cc1cc(=O)c2nncc(C)c2o1.Cc1cc(C)c2c(=O)ncoc2n1.Cc1coc2c(C)ncnc2c1=O.Cc1coc2nncc(C)c2c1=O.Cc1ncc(C)c2c(=O)ncoc12
InChIInChI=1S/6C9H8N2O2/c1-5-4-10-11-8-7(12)3-6(2)13-9(5)8;1-5-3-13-9-6(2)10-4-11-7(9)8(5)12;1-5-3-10-6(2)8-7(5)9(12)11-4-13-8;1-5-3-7(12)8-6(2)10-4-11-9(8)13-5;1-5-3-10-11-9-7(5)8(12)6(2)4-13-9;1-5-3-6(2)11-9-7(5)8(12)10-4-13-9/h6*3-4H,1-2H3
InChIKeyLEMLJCGWAVGDKT-UHFFFAOYSA-N
MW1057.05 g/mol
LogP7.20
Rot. Bonds

About 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one

4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one (PubChem CID 159327026) has the molecular formula C54H48N12O12 and a molecular weight of 1057.05 g/mol. Its IUPAC name is 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one
PubChem CID159327026
Molecular FormulaC54H48N12O12
Molecular Weight1057.05 g/mol
Exact Mass1056.35
IUPAC Name4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one
SMILESCc1cc(=O)c2c(C)ncnc2o1.Cc1cc(=O)c2nncc(C)c2o1.Cc1cc(C)c2c(=O)ncoc2n1.Cc1coc2c(C)ncnc2c1=O.Cc1coc2nncc(C)c2c1=O.Cc1ncc(C)c2c(=O)ncoc12
InChIInChI=1S/6C9H8N2O2/c1-5-4-10-11-8-7(12)3-6(2)13-9(5)8;1-5-3-13-9-6(2)10-4-11-7(9)8(5)12;1-5-3-10-6(2)8-7(5)9(12)11-4-13-8;1-5-3-7(12)8-6(2)10-4-11-9(8)13-5;1-5-3-10-11-9-7(5)8(12)6(2)4-13-9;1-5-3-6(2)11-9-7(5)8(12)10-4-13-9/h6*3-4H,1-2H3
InChIKeyLEMLJCGWAVGDKT-UHFFFAOYSA-N
XLogP7.20
TPSA335.94 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.05
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one 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

2-[6-(1,1-Difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 158160435
2-Cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123491909
2-(2-Methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123760741
1,3-Benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one
CID 157464442
ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
CID 157690781
Methane;pyrano[2,3-b]pyrazin-8-one;pyrano[3,2-c]pyridazin-8-one;pyrano[3,2-d]pyrimidin-8-one;pyrano[3,2-e][1,2,4]triazin-5-one;pyrazino[2,3-e][1,3]oxazin-4-one;pyridazino[4,3-e][1,3]oxazin-5-one;pyrido[2,3-e][1,3]oxazin-4-one;pyrido[4,3-e][1,3]oxazin-4-one;pyrimido[4,5-e][1,3]oxazin-4-one
CID 157798628
Pyrano[2,3-b]pyrazin-8-one;pyrano[3,2-c]pyridazin-8-one;pyrano[2,3-d]pyrimidin-5-one;pyrano[3,2-d]pyrimidin-8-one;pyrido[3,2-e][1,3]oxazin-4-one;pyrido[4,3-e][1,3]oxazin-4-one
CID 157887262
4,6-Dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one;7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one
CID 158107955
Ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
CID 158132553
2-Cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclopentyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 158328948
ethane;morpholin-4-yl-(4-propan-2-ylcyclohexyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
CID 158720330
1,3-Benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one
CID 159329766

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one?
The IUPAC name of 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one (CID 159327026) is 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one.
What is the SMILES notation for 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one?
The canonical SMILES for 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one is Cc1cc(=O)c2c(C)ncnc2o1.Cc1cc(=O)c2nncc(C)c2o1.Cc1cc(C)c2c(=O)ncoc2n1.Cc1coc2c(C)ncnc2c1=O.Cc1coc2nncc(C)c2c1=O.Cc1ncc(C)c2c(=O)ncoc12.
What is the InChIKey of 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one?
The InChIKey is LEMLJCGWAVGDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H8N2O2/c1-5-4-10-11-8-7(12)3-6(2)13-9(5)8;1-5-3-13-9-6(2)10-4-11-7(9)8(5)12;1-5-3-10-6(2)8-7(5)9(12)11-4-13-8;1-5-3-7(12)8-6(2)10-4-11-9(8)13-5;1-5-3-10-11-9-7(5)8(12)6(2)4-13-9;1-5-3-6(2)11-9-7(5)8(12)10-4-13-9/h6*3-4H,1-2H3.
What are the key properties of 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one?
4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one has a molecular weight of 1057.05 g/mol, XLogP of 7.20, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrano[2,3-c]pyridazin-5-one;4,6-dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one is sourced from PubChem (CID 159327026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).