1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one

C17H29N5O2 — CID 120905223

IUPAC1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCN(CC1CN(CC2(C)CCNC2)CCO1)c1nccn(C)c1=O
InChIInChI=1S/C17H29N5O2/c1-17(4-5-18-12-17)13-22-8-9-24-14(11-22)10-21(3)15-16(23)20(2)7-6-19-15/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyISNBHADWAWFRKS-UHFFFAOYSA-N
MW335.45 g/mol
LogP-0.08
Rot. Bonds5

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

1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one (PubChem CID 120905223) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
PubChem CID120905223
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCN(CC1CN(CC2(C)CCNC2)CCO1)c1nccn(C)c1=O
InChIInChI=1S/C17H29N5O2/c1-17(4-5-18-12-17)13-22-8-9-24-14(11-22)10-21(3)15-16(23)20(2)7-6-19-15/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyISNBHADWAWFRKS-UHFFFAOYSA-N
XLogP-0.08
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
CID 120856849
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
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-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129334222
3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129332131
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
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine;hydrochloride
CID 120900223
3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 128997729
1-methyl-3-[methyl-[[(2R)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129333450
6-[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 129331971
3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120904826

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one (CID 120905223) is 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one is CN(CC1CN(CC2(C)CCNC2)CCO1)c1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
The InChIKey is ISNBHADWAWFRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(4-5-18-12-17)13-22-8-9-24-14(11-22)10-21(3)15-16(23)20(2)7-6-19-15/h6-7,14,18H,4-5,8-13H2,1-3H3.
What are the key properties of 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one has a molecular weight of 335.45 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one is sourced from PubChem (CID 120905223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).