6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one

C21H28N6O3 — CID 95799244

IUPAC6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C21H28N6O3/c1-14-15(2)22-19(23-20(14)26-10-12-30-13-11-26)16-6-8-27(9-7-16)21(29)17-4-5-18(28)25(3)24-17/h4-5,16H,6-13H2,1-3H3
InChIKeyVXZRJSBAOMUBPC-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.04
Rot. Bonds3

About 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 95799244) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID95799244
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C21H28N6O3/c1-14-15(2)22-19(23-20(14)26-10-12-30-13-11-26)16-6-8-27(9-7-16)21(29)17-4-5-18(28)25(3)24-17/h4-5,16H,6-13H2,1-3H3
InChIKeyVXZRJSBAOMUBPC-UHFFFAOYSA-N
XLogP1.04
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799192
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92595893
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95799193
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92595888
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 90539797
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 70743743
methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate
CID 78926657
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 95799244) is 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cc1nc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc(N2CCOCC2)c1C.
What is the InChIKey of 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is VXZRJSBAOMUBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-14-15(2)22-19(23-20(14)26-10-12-30-13-11-26)16-6-8-27(9-7-16)21(29)17-4-5-18(28)25(3)24-17/h4-5,16H,6-13H2,1-3H3.
What are the key properties of 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 412.49 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 95799244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).