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

C17H24N6O3 — CID 23648030

IUPAC2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(OC)c(Nc2nc(NCCO)nc(N3CCCC3)n2)c1
InChIInChI=1S/C17H24N6O3/c1-25-12-5-6-14(26-2)13(11-12)19-16-20-15(18-7-10-24)21-17(22-16)23-8-3-4-9-23/h5-6,11,24H,3-4,7-10H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyBDVNDOKOCNTPFX-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.64
Rot. Bonds8

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

2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648030) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648030
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(OC)c(Nc2nc(NCCO)nc(N3CCCC3)n2)c1
InChIInChI=1S/C17H24N6O3/c1-25-12-5-6-14(26-2)13(11-12)19-16-20-15(18-7-10-24)21-17(22-16)23-8-3-4-9-23/h5-6,11,24H,3-4,7-10H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyBDVNDOKOCNTPFX-UHFFFAOYSA-N
XLogP1.64
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(2,5-dimethoxyanilino)-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-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648030) is 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(OC)c(Nc2nc(NCCO)nc(N3CCCC3)n2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is BDVNDOKOCNTPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-25-12-5-6-14(26-2)13(11-12)19-16-20-15(18-7-10-24)21-17(22-16)23-8-3-4-9-23/h5-6,11,24H,3-4,7-10H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 360.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).