2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol

C20H31N5O — CID 10737065

IUPAC2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(C)nc(Nc2c(CC)cccc2CC)n1
InChIInChI=1S/C20H31N5O/c1-5-8-12-17(13-26)23-19-21-14(4)22-20(25-19)24-18-15(6-2)10-9-11-16(18)7-3/h9-11,17,26H,5-8,12-13H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyQQJSVHSXHGGIFI-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.01
Rot. Bonds10

About 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol

2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol (PubChem CID 10737065) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol
PubChem CID10737065
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(C)nc(Nc2c(CC)cccc2CC)n1
InChIInChI=1S/C20H31N5O/c1-5-8-12-17(13-26)23-19-21-14(4)22-20(25-19)24-18-15(6-2)10-9-11-16(18)7-3/h9-11,17,26H,5-8,12-13H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyQQJSVHSXHGGIFI-UHFFFAOYSA-N
XLogP4.01
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The IUPAC name of 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol (CID 10737065) is 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol.
What is the SMILES notation for 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The canonical SMILES for 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol is CCCCC(CO)Nc1nc(C)nc(Nc2c(CC)cccc2CC)n1.
What is the InChIKey of 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The InChIKey is QQJSVHSXHGGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-5-8-12-17(13-26)23-19-21-14(4)22-20(25-19)24-18-15(6-2)10-9-11-16(18)7-3/h9-11,17,26H,5-8,12-13H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol?
2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol has a molecular weight of 357.50 g/mol, XLogP of 4.01, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-diethylanilino)-6-methyl-1,3,5-triazin-2-yl]amino]hexan-1-ol is sourced from PubChem (CID 10737065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).