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

C18H26N6O2 — CID 67015966

IUPAC4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCCOc1nc(Nc2ccc(O)cc2)nc(NC(CC)C2CCCN2)n1
InChIInChI=1S/C18H26N6O2/c1-3-14(15-6-5-11-19-15)21-17-22-16(23-18(24-17)26-4-2)20-12-7-9-13(25)10-8-12/h7-10,14-15,19,25H,3-6,11H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyOXZLJGNIJGJVEV-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.66
Rot. Bonds8

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

4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 67015966) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID67015966
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCCOc1nc(Nc2ccc(O)cc2)nc(NC(CC)C2CCCN2)n1
InChIInChI=1S/C18H26N6O2/c1-3-14(15-6-5-11-19-15)21-17-22-16(23-18(24-17)26-4-2)20-12-7-9-13(25)10-8-12/h7-10,14-15,19,25H,3-6,11H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyOXZLJGNIJGJVEV-UHFFFAOYSA-N
XLogP2.66
TPSA104.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.66
H-Bond Donors ≤ 54
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-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol (CID 67015966) is 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol is CCOc1nc(Nc2ccc(O)cc2)nc(NC(CC)C2CCCN2)n1.
What is the InChIKey of 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is OXZLJGNIJGJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-14(15-6-5-11-19-15)21-17-22-16(23-18(24-17)26-4-2)20-12-7-9-13(25)10-8-12/h7-10,14-15,19,25H,3-6,11H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 358.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethoxy-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 67015966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).