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

C15H19ClN6O — CID 23648019

IUPAC2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H19ClN6O/c16-11-5-1-2-6-12(11)18-14-19-13(17-7-10-23)20-15(21-14)22-8-3-4-9-22/h1-2,5-6,23H,3-4,7-10H2,(H2,17,18,19,20,21)
InChIKeyGQGYXQXENCTJDT-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.27
Rot. Bonds6

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

2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648019) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648019
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H19ClN6O/c16-11-5-1-2-6-12(11)18-14-19-13(17-7-10-23)20-15(21-14)22-8-3-4-9-22/h1-2,5-6,23H,3-4,7-10H2,(H2,17,18,19,20,21)
InChIKeyGQGYXQXENCTJDT-UHFFFAOYSA-N
XLogP2.27
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648019) is 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Nc2ccccc2Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is GQGYXQXENCTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c16-11-5-1-2-6-12(11)18-14-19-13(17-7-10-23)20-15(21-14)22-8-3-4-9-22/h1-2,5-6,23H,3-4,7-10H2,(H2,17,18,19,20,21).
What are the key properties of 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 334.81 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).