4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

C15H30N6O — CID 14516817

IUPAC4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC(C)(C)Nc1nc(NCCCCO)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H30N6O/c1-14(2,3)20-12-17-11(16-9-7-8-10-22)18-13(19-12)21-15(4,5)6/h22H,7-10H2,1-6H3,(H3,16,17,18,19,20,21)
InChIKeyYAEJSCUXOFDULO-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.48
Rot. Bonds7

About 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 14516817) has the molecular formula C15H30N6O and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID14516817
Molecular FormulaC15H30N6O
Molecular Weight310.45 g/mol
Exact Mass310.25
IUPAC Name4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC(C)(C)Nc1nc(NCCCCO)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H30N6O/c1-14(2,3)20-12-17-11(16-9-7-8-10-22)18-13(19-12)21-15(4,5)6/h22H,7-10H2,1-6H3,(H3,16,17,18,19,20,21)
InChIKeyYAEJSCUXOFDULO-UHFFFAOYSA-N
XLogP2.48
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 14516817) is 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CC(C)(C)Nc1nc(NCCCCO)nc(NC(C)(C)C)n1.
What is the InChIKey of 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is YAEJSCUXOFDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O/c1-14(2,3)20-12-17-11(16-9-7-8-10-22)18-13(19-12)21-15(4,5)6/h22H,7-10H2,1-6H3,(H3,16,17,18,19,20,21).
What are the key properties of 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 310.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-bis(tert-butylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 14516817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).