1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one

C12H18N4O2 — CID 62990467

IUPAC1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
SMILESCOc1ccc(CNCCN2CCNC2=O)cn1
InChIInChI=1S/C12H18N4O2/c1-18-11-3-2-10(9-15-11)8-13-4-6-16-7-5-14-12(16)17/h2-3,9,13H,4-8H2,1H3,(H,14,17)
InChIKeyAIGPUJBULZPTDS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds6

About 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 62990467) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID62990467
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
SMILESCOc1ccc(CNCCN2CCNC2=O)cn1
InChIInChI=1S/C12H18N4O2/c1-18-11-3-2-10(9-15-11)8-13-4-6-16-7-5-14-12(16)17/h2-3,9,13H,4-8H2,1H3,(H,14,17)
InChIKeyAIGPUJBULZPTDS-UHFFFAOYSA-N
XLogP0.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28738658
N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 105006718
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28970678
1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
2-tert-butylsulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 105006850
1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one
CID 112669012

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one (CID 62990467) is 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one is COc1ccc(CNCCN2CCNC2=O)cn1.
What is the InChIKey of 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is AIGPUJBULZPTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-11-3-2-10(9-15-11)8-13-4-6-16-7-5-14-12(16)17/h2-3,9,13H,4-8H2,1H3,(H,14,17).
What are the key properties of 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 62990467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).