1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one

C11H20N4O — CID 106918192

IUPAC1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
SMILESCNCC(C)CN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O/c1-9(7-12-2)8-15(4)10-11(16)14(3)6-5-13-10/h5-6,9,12H,7-8H2,1-4H3
InChIKeyORLLCTJUTNGYSD-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.07
Rot. Bonds5

About 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one

1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one (PubChem CID 106918192) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
PubChem CID106918192
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
SMILESCNCC(C)CN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O/c1-9(7-12-2)8-15(4)10-11(16)14(3)6-5-13-10/h5-6,9,12H,7-8H2,1-4H3
InChIKeyORLLCTJUTNGYSD-UHFFFAOYSA-N
XLogP0.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
CID 62940589
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103
N,N',2-trimethyl-N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 106918100
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
CID 84597024
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
CID 136519461
N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106918118
N,N',2-trimethyl-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 106918163
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one (CID 106918192) is 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one is CNCC(C)CN(C)c1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
The InChIKey is ORLLCTJUTNGYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(7-12-2)8-15(4)10-11(16)14(3)6-5-13-10/h5-6,9,12H,7-8H2,1-4H3.
What are the key properties of 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one?
1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one is sourced from PubChem (CID 106918192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).