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

C17H24N6O — CID 23872858

IUPAC2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H24N6O/c24-13-10-19-16-20-15(18-9-8-14-6-2-1-3-7-14)21-17(22-16)23-11-4-5-12-23/h1-3,6-7,24H,4-5,8-13H2,(H2,18,19,20,21,22)
InChIKeyMMPSJFUQRBFOQZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.53
Rot. Bonds8

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

2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23872858) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23872858
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H24N6O/c24-13-10-19-16-20-15(18-9-8-14-6-2-1-3-7-14)21-17(22-16)23-11-4-5-12-23/h1-3,6-7,24H,4-5,8-13H2,(H2,18,19,20,21,22)
InChIKeyMMPSJFUQRBFOQZ-UHFFFAOYSA-N
XLogP1.53
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23872858) is 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(NCCc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is MMPSJFUQRBFOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-13-10-19-16-20-15(18-9-8-14-6-2-1-3-7-14)21-17(22-16)23-11-4-5-12-23/h1-3,6-7,24H,4-5,8-13H2,(H2,18,19,20,21,22).
What are the key properties of 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 328.42 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23872858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).