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

C18H28N6O2 — CID 129334937

IUPAC1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCc1nccn1CCCN1CCO[C@H](CN(C)c2nccn(C)c2=O)C1
InChIInChI=1S/C18H28N6O2/c1-15-19-6-10-24(15)8-4-7-23-11-12-26-16(14-23)13-22(3)17-18(25)21(2)9-5-20-17/h5-6,9-10,16H,4,7-8,11-14H2,1-3H3/t16-/m1/s1
InChIKeyHWRGDZMJWCZIBX-MRXNPFEDSA-N
MW360.46 g/mol
LogP0.51
Rot. Bonds7

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

1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one (PubChem CID 129334937) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
PubChem CID129334937
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCc1nccn1CCCN1CCO[C@H](CN(C)c2nccn(C)c2=O)C1
InChIInChI=1S/C18H28N6O2/c1-15-19-6-10-24(15)8-4-7-23-11-12-26-16(14-23)13-22(3)17-18(25)21(2)9-5-20-17/h5-6,9-10,16H,4,7-8,11-14H2,1-3H3/t16-/m1/s1
InChIKeyHWRGDZMJWCZIBX-MRXNPFEDSA-N
XLogP0.51
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one (CID 129334937) is 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one is Cc1nccn1CCCN1CCO[C@H](CN(C)c2nccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
The InChIKey is HWRGDZMJWCZIBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-15-19-6-10-24(15)8-4-7-23-11-12-26-16(14-23)13-22(3)17-18(25)21(2)9-5-20-17/h5-6,9-10,16H,4,7-8,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one?
1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one has a molecular weight of 360.46 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one is sourced from PubChem (CID 129334937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).