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

C22H26N6O2 — CID 23648027

IUPAC2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2OCc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C22H26N6O2/c29-15-12-23-20-25-21(27-22(26-20)28-13-6-7-14-28)24-18-10-4-5-11-19(18)30-16-17-8-2-1-3-9-17/h1-5,8-11,29H,6-7,12-16H2,(H2,23,24,25,26,27)
InChIKeyVXLLFCPIBDPYFW-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.20
Rot. Bonds9

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

2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648027) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648027
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2OCc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C22H26N6O2/c29-15-12-23-20-25-21(27-22(26-20)28-13-6-7-14-28)24-18-10-4-5-11-19(18)30-16-17-8-2-1-3-9-17/h1-5,8-11,29H,6-7,12-16H2,(H2,23,24,25,26,27)
InChIKeyVXLLFCPIBDPYFW-UHFFFAOYSA-N
XLogP3.20
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648027) is 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Nc2ccccc2OCc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is VXLLFCPIBDPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-15-12-23-20-25-21(27-22(26-20)28-13-6-7-14-28)24-18-10-4-5-11-19(18)30-16-17-8-2-1-3-9-17/h1-5,8-11,29H,6-7,12-16H2,(H2,23,24,25,26,27).
What are the key properties of 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 406.49 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylmethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).