6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one

C20H21N5O3 — CID 126939935

IUPAC6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3Nc3nccc(C)n3)n2)c1
InChIInChI=1S/C20H21N5O3/c1-13-8-9-21-20(22-13)23-17-11-28-12-18(17)25-19(26)7-6-16(24-25)14-4-3-5-15(10-14)27-2/h3-10,17-18H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyIDAWRJSGZRBUCA-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.07
Rot. Bonds5

About 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one

6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126939935) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126939935
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3Nc3nccc(C)n3)n2)c1
InChIInChI=1S/C20H21N5O3/c1-13-8-9-21-20(22-13)23-17-11-28-12-18(17)25-19(26)7-6-16(24-25)14-4-3-5-15(10-14)27-2/h3-10,17-18H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyIDAWRJSGZRBUCA-UHFFFAOYSA-N
XLogP2.07
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939969
6-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939911
6-(3-methoxyphenyl)-2-[4-[(1-methyl-6-oxopyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126940009
6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939924
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126939925
6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one
CID 126939964
2-[4-[(1-hydroxycyclohexyl)methylamino]oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126940022
6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide
CID 126939877
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one (CID 126939935) is 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one is COc1cccc(-c2ccc(=O)n(C3COCC3Nc3nccc(C)n3)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is IDAWRJSGZRBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-8-9-21-20(22-13)23-17-11-28-12-18(17)25-19(26)7-6-16(24-25)14-4-3-5-15(10-14)27-2/h3-10,17-18H,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 379.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).