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

C9H17N5O — CID 176582951

IUPAC2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol
SMILESCCCCNc1nc(N)nc(CCO)n1
InChIInChI=1S/C9H17N5O/c1-2-3-5-11-9-13-7(4-6-15)12-8(10)14-9/h15H,2-6H2,1H3,(H3,10,11,12,13,14)
InChIKeySCXDJNVIZYZIRY-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.20
Rot. Bonds6

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

2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol (PubChem CID 176582951) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol
PubChem CID176582951
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol
SMILESCCCCNc1nc(N)nc(CCO)n1
InChIInChI=1S/C9H17N5O/c1-2-3-5-11-9-13-7(4-6-15)12-8(10)14-9/h15H,2-6H2,1H3,(H3,10,11,12,13,14)
InChIKeySCXDJNVIZYZIRY-UHFFFAOYSA-N
XLogP0.20
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol (CID 176582951) is 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol is CCCCNc1nc(N)nc(CCO)n1.
What is the InChIKey of 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is SCXDJNVIZYZIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-3-5-11-9-13-7(4-6-15)12-8(10)14-9/h15H,2-6H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol?
2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 211.27 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 176582951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).