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

C13H26N6O — CID 71268271

IUPAC1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol
SMILESCCCCNc1nc(N)nc(N(CCCC)C(C)O)n1
InChIInChI=1S/C13H26N6O/c1-4-6-8-15-12-16-11(14)17-13(18-12)19(10(3)20)9-7-5-2/h10,20H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyNBHPPSQGSKZTQE-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.61
Rot. Bonds9

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

1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol (PubChem CID 71268271) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol.

Molecular Properties

Compound Name1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol
PubChem CID71268271
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol
SMILESCCCCNc1nc(N)nc(N(CCCC)C(C)O)n1
InChIInChI=1S/C13H26N6O/c1-4-6-8-15-12-16-11(14)17-13(18-12)19(10(3)20)9-7-5-2/h10,20H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyNBHPPSQGSKZTQE-UHFFFAOYSA-N
XLogP1.61
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol?
The IUPAC name of 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol (CID 71268271) is 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol.
What is the SMILES notation for 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol?
The canonical SMILES for 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol is CCCCNc1nc(N)nc(N(CCCC)C(C)O)n1.
What is the InChIKey of 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol?
The InChIKey is NBHPPSQGSKZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-4-6-8-15-12-16-11(14)17-13(18-12)19(10(3)20)9-7-5-2/h10,20H,4-9H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol?
1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol has a molecular weight of 282.39 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]-butylamino]ethanol is sourced from PubChem (CID 71268271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).