1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one

C17H22N4O4 — CID 129333935

IUPAC1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCc1occc1C(=O)N1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1
InChIInChI=1S/C17H22N4O4/c1-12-14(4-8-24-12)16(22)21-7-9-25-13(11-21)10-20(3)15-17(23)19(2)6-5-18-15/h4-6,8,13H,7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyGMGHUPMSSFPUAT-ZDUSSCGKSA-N
MW346.39 g/mol
LogP0.66
Rot. Bonds4

About 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one

1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one (PubChem CID 129333935) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one
PubChem CID129333935
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCc1occc1C(=O)N1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1
InChIInChI=1S/C17H22N4O4/c1-12-14(4-8-24-12)16(22)21-7-9-25-13(11-21)10-20(3)15-17(23)19(2)6-5-18-15/h4-6,8,13H,7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyGMGHUPMSSFPUAT-ZDUSSCGKSA-N
XLogP0.66
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one with MolForge

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Related Compounds

2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide
CID 129002742
1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129334937
3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129332131
3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 128997729
3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129334222
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
CID 120856849
6-[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 129331971
5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129344570
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
3-[[(2R)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129339094

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one (CID 129333935) is 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one is Cc1occc1C(=O)N1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one?
The InChIKey is GMGHUPMSSFPUAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12-14(4-8-24-12)16(22)21-7-9-25-13(11-21)10-20(3)15-17(23)19(2)6-5-18-15/h4-6,8,13H,7,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one?
1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one has a molecular weight of 346.39 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one is sourced from PubChem (CID 129333935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).