3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one

C17H26N6O2 — CID 129334222

IUPAC3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
SMILESCc1nn(C)cc1CN1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1
InChIInChI=1S/C17H26N6O2/c1-13-14(9-22(4)19-13)10-23-7-8-25-15(12-23)11-21(3)16-17(24)20(2)6-5-18-16/h5-6,9,15H,7-8,10-12H2,1-4H3/t15-/m0/s1
InChIKeyGWPHPEMBTRLEDU-HNNXBMFYSA-N
MW346.44 g/mol
LogP0.16
Rot. Bonds5

About 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one

3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one (PubChem CID 129334222) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
PubChem CID129334222
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
SMILESCc1nn(C)cc1CN1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1
InChIInChI=1S/C17H26N6O2/c1-13-14(9-22(4)19-13)10-23-7-8-25-15(12-23)11-21(3)16-17(24)20(2)6-5-18-16/h5-6,9,15H,7-8,10-12H2,1-4H3/t15-/m0/s1
InChIKeyGWPHPEMBTRLEDU-HNNXBMFYSA-N
XLogP0.16
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one with MolForge

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Related Compounds

3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129332131
1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129334937
5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129344570
3-[[(2R)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129339094
1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
CID 120856849
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 128997729
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
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-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129333935
6-[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 129331971

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one (CID 129334222) is 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one is Cc1nn(C)cc1CN1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1.
What is the InChIKey of 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The InChIKey is GWPHPEMBTRLEDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13-14(9-22(4)19-13)10-23-7-8-25-15(12-23)11-21(3)16-17(24)20(2)6-5-18-16/h5-6,9,15H,7-8,10-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one has a molecular weight of 346.44 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129334222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).