1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one

C17H22N6O3 — CID 117083958

IUPAC1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc(NCCCN3CCCC3=O)nc(OC)n2)cn1
InChIInChI=1S/C17H22N6O3/c1-25-13-7-6-12(11-19-13)15-20-16(22-17(21-15)26-2)18-8-4-10-23-9-3-5-14(23)24/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,20,21,22)
InChIKeyFLBUEADYDROTQK-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.38
Rot. Bonds8

About 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117083958) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117083958
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc(NCCCN3CCCC3=O)nc(OC)n2)cn1
InChIInChI=1S/C17H22N6O3/c1-25-13-7-6-12(11-19-13)15-20-16(22-17(21-15)26-2)18-8-4-10-23-9-3-5-14(23)24/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,20,21,22)
InChIKeyFLBUEADYDROTQK-UHFFFAOYSA-N
XLogP1.38
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117083693
1-[3-[[8-(6-methoxy-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117092163
1-[2-[2-(6-methoxy-3-pyridinyl)-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082665
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
1-[3-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)propyl]pyrrolidin-2-one
CID 151079198
N-(6-methoxy-3-pyridinyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110620781
1-[3-[(5-nitropyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
CID 133466869
1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
CID 77089464
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
CID 102536413
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117084974

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one (CID 117083958) is 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one is COc1ccc(-c2nc(NCCCN3CCCC3=O)nc(OC)n2)cn1.
What is the InChIKey of 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is FLBUEADYDROTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-25-13-7-6-12(11-19-13)15-20-16(22-17(21-15)26-2)18-8-4-10-23-9-3-5-14(23)24/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,20,21,22).
What are the key properties of 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 358.40 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117083958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).