4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol

C18H26N6O2 — CID 67015938

IUPAC4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
SMILESCCOc1nc(NCC2CCCN2CC)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-3-24-11-5-6-14(24)12-19-16-21-17(23-18(22-16)26-4-2)20-13-7-9-15(25)10-8-13/h7-10,14,25H,3-6,11-12H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYIURQROQFVUQBB-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.62
Rot. Bonds8

About 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol

4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 67015938) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
PubChem CID67015938
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
SMILESCCOc1nc(NCC2CCCN2CC)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-3-24-11-5-6-14(24)12-19-16-21-17(23-18(22-16)26-4-2)20-13-7-9-15(25)10-8-13/h7-10,14,25H,3-6,11-12H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYIURQROQFVUQBB-UHFFFAOYSA-N
XLogP2.62
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol (CID 67015938) is 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol is CCOc1nc(NCC2CCCN2CC)nc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is YIURQROQFVUQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-24-11-5-6-14(24)12-19-16-21-17(23-18(22-16)26-4-2)20-13-7-9-15(25)10-8-13/h7-10,14,25H,3-6,11-12H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 358.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethoxy-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 67015938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).