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

C21H24N6O2 — CID 23648026

IUPAC2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C21H24N6O2/c28-15-12-22-19-24-20(26-21(25-19)27-13-6-7-14-27)23-17-10-4-5-11-18(17)29-16-8-2-1-3-9-16/h1-5,8-11,28H,6-7,12-15H2,(H2,22,23,24,25,26)
InChIKeySOJHGFJRAQRFOT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.41
Rot. Bonds8

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

2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648026) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648026
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C21H24N6O2/c28-15-12-22-19-24-20(26-21(25-19)27-13-6-7-14-27)23-17-10-4-5-11-18(17)29-16-8-2-1-3-9-16/h1-5,8-11,28H,6-7,12-15H2,(H2,22,23,24,25,26)
InChIKeySOJHGFJRAQRFOT-UHFFFAOYSA-N
XLogP3.41
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648026) is 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is SOJHGFJRAQRFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-15-12-22-19-24-20(26-21(25-19)27-13-6-7-14-27)23-17-10-4-5-11-18(17)29-16-8-2-1-3-9-16/h1-5,8-11,28H,6-7,12-15H2,(H2,22,23,24,25,26).
What are the key properties of 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 392.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).