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

C16H22N6O2 — CID 23648023

IUPAC2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Nc2nc(NCCO)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C16H22N6O2/c1-24-13-6-4-12(5-7-13)18-15-19-14(17-8-11-23)20-16(21-15)22-9-2-3-10-22/h4-7,23H,2-3,8-11H2,1H3,(H2,17,18,19,20,21)
InChIKeyQDGWCTLLQIUYEH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.63
Rot. Bonds7

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

2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648023) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648023
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Nc2nc(NCCO)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C16H22N6O2/c1-24-13-6-4-12(5-7-13)18-15-19-14(17-8-11-23)20-16(21-15)22-9-2-3-10-22/h4-7,23H,2-3,8-11H2,1H3,(H2,17,18,19,20,21)
InChIKeyQDGWCTLLQIUYEH-UHFFFAOYSA-N
XLogP1.63
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648023) is 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(Nc2nc(NCCO)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is QDGWCTLLQIUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-24-13-6-4-12(5-7-13)18-15-19-14(17-8-11-23)20-16(21-15)22-9-2-3-10-22/h4-7,23H,2-3,8-11H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 330.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).