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

C16H24N6O2 — CID 23648013

IUPAC2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCNc1nc(NCCO)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C16H24N6O2/c1-3-4-9-17-14-20-15(18-10-11-23)22-16(21-14)19-12-7-5-6-8-13(12)24-2/h5-8,23H,3-4,9-11H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyDWTQAMUCUCTLIA-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.24
Rot. Bonds10

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

2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648013) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648013
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCNc1nc(NCCO)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C16H24N6O2/c1-3-4-9-17-14-20-15(18-10-11-23)22-16(21-14)19-12-7-5-6-8-13(12)24-2/h5-8,23H,3-4,9-11H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyDWTQAMUCUCTLIA-UHFFFAOYSA-N
XLogP2.24
TPSA104.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 23648013) is 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is CCCCNc1nc(NCCO)nc(Nc2ccccc2OC)n1.
What is the InChIKey of 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is DWTQAMUCUCTLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-3-4-9-17-14-20-15(18-10-11-23)22-16(21-14)19-12-7-5-6-8-13(12)24-2/h5-8,23H,3-4,9-11H2,1-2H3,(H3,17,18,19,20,21,22).
What are the key properties of 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 332.41 g/mol, XLogP of 2.24, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butylamino)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).