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

C22H26N6O2 — CID 23648033

IUPAC2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(-c2ccccc2)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C22H26N6O2/c1-30-19-10-9-17(16-7-3-2-4-8-16)15-18(19)24-21-25-20(23-11-14-29)26-22(27-21)28-12-5-6-13-28/h2-4,7-10,15,29H,5-6,11-14H2,1H3,(H2,23,24,25,26,27)
InChIKeyYKXOTVVZUFEPMC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.30
Rot. Bonds8

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

2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648033) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648033
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(-c2ccccc2)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C22H26N6O2/c1-30-19-10-9-17(16-7-3-2-4-8-16)15-18(19)24-21-25-20(23-11-14-29)26-22(27-21)28-12-5-6-13-28/h2-4,7-10,15,29H,5-6,11-14H2,1H3,(H2,23,24,25,26,27)
InChIKeyYKXOTVVZUFEPMC-UHFFFAOYSA-N
XLogP3.30
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648033) is 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(-c2ccccc2)cc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is YKXOTVVZUFEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-19-10-9-17(16-7-3-2-4-8-16)15-18(19)24-21-25-20(23-11-14-29)26-22(27-21)28-12-5-6-13-28/h2-4,7-10,15,29H,5-6,11-14H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 406.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxy-5-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).