2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol

C21H24N6O2 — CID 23648035

IUPAC2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol
SMILESOCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1
InChIInChI=1S/C21H24N6O2/c28-13-10-22-19-24-20(26-21(25-19)27-11-4-5-12-27)23-17-14-16(8-9-18(17)29)15-6-2-1-3-7-15/h1-3,6-9,14,28-29H,4-5,10-13H2,(H2,22,23,24,25,26)
InChIKeyFEQNEXSELHWMTI-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.99
Rot. Bonds7

About 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol

2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol (PubChem CID 23648035) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol
PubChem CID23648035
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol
SMILESOCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1
InChIInChI=1S/C21H24N6O2/c28-13-10-22-19-24-20(26-21(25-19)27-11-4-5-12-27)23-17-14-16(8-9-18(17)29)15-6-2-1-3-7-15/h1-3,6-9,14,28-29H,4-5,10-13H2,(H2,22,23,24,25,26)
InChIKeyFEQNEXSELHWMTI-UHFFFAOYSA-N
XLogP2.99
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol?
The IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol (CID 23648035) is 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol.
What is the SMILES notation for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol?
The canonical SMILES for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol is OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol?
The InChIKey is FEQNEXSELHWMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-13-10-22-19-24-20(26-21(25-19)27-11-4-5-12-27)23-17-14-16(8-9-18(17)29)15-6-2-1-3-7-15/h1-3,6-9,14,28-29H,4-5,10-13H2,(H2,22,23,24,25,26).
What are the key properties of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol?
2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol has a molecular weight of 392.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-4-phenylphenol is sourced from PubChem (CID 23648035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).