6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine

C9H17N5O — CID 56637724

IUPAC6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCOCCc1nc(N)nc(N)n1
InChIInChI=1S/C9H17N5O/c1-2-3-5-15-6-4-7-12-8(10)14-9(11)13-7/h2-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyQZVXBDKYTZDVNN-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.40
Rot. Bonds6

About 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine

6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56637724) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID56637724
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCOCCc1nc(N)nc(N)n1
InChIInChI=1S/C9H17N5O/c1-2-3-5-15-6-4-7-12-8(10)14-9(11)13-7/h2-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyQZVXBDKYTZDVNN-UHFFFAOYSA-N
XLogP0.40
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
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 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine (CID 56637724) is 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine is CCCCOCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QZVXBDKYTZDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-3-5-15-6-4-7-12-8(10)14-9(11)13-7/h2-6H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine?
6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56637724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).