1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea

C16H27N5O3 — CID 154764879

IUPAC1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
SMILESCN(CC(C)(C)CN1CCOCC1)C(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C16H27N5O3/c1-16(2,12-21-7-9-24-10-8-21)11-19(3)15(23)17-13-5-6-14(22)20(4)18-13/h5-6H,7-12H2,1-4H3,(H,17,18,23)
InChIKeyWCYOQADYIXCEJI-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.60
Rot. Bonds5

About 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea

1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea (PubChem CID 154764879) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
PubChem CID154764879
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
SMILESCN(CC(C)(C)CN1CCOCC1)C(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C16H27N5O3/c1-16(2,12-21-7-9-24-10-8-21)11-19(3)15(23)17-13-5-6-14(22)20(4)18-13/h5-6H,7-12H2,1-4H3,(H,17,18,23)
InChIKeyWCYOQADYIXCEJI-UHFFFAOYSA-N
XLogP0.60
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea with MolForge

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Related Compounds

(2R)-2-amino-N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-methylpropanamide;hydrochloride
CID 120873433
N,N-bis(2,2-dimethyl-3-morpholin-4-ylpropyl)acetamide
CID 100937943
1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide
CID 90607257
methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50971369
4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
N,2,2-trimethyl-3-morpholin-4-yl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]propan-1-amine
CID 99929096
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115327
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide
CID 8903865
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
2-amino-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 67164334

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The IUPAC name of 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea (CID 154764879) is 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea.
What is the SMILES notation for 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The canonical SMILES for 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea is CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1ccc(=O)n(C)n1.
What is the InChIKey of 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The InChIKey is WCYOQADYIXCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-16(2,12-21-7-9-24-10-8-21)11-19(3)15(23)17-13-5-6-14(22)20(4)18-13/h5-6H,7-12H2,1-4H3,(H,17,18,23).
What are the key properties of 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea has a molecular weight of 337.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)urea is sourced from PubChem (CID 154764879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).