2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C15H28N6O — CID 23290147

IUPAC2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C15H28N6O/c1-3-5-7-16-13-18-14(17-8-6-4-2)20-15(19-13)21-9-11-22-12-10-21/h3-12H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyGDXGOYXZDUUYSJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.13
Rot. Bonds9

About 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23290147) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID23290147
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C15H28N6O/c1-3-5-7-16-13-18-14(17-8-6-4-2)20-15(19-13)21-9-11-22-12-10-21/h3-12H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyGDXGOYXZDUUYSJ-UHFFFAOYSA-N
XLogP2.13
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
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 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 23290147) is 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCCCNc1nc(NCCCC)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GDXGOYXZDUUYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-3-5-7-16-13-18-14(17-8-6-4-2)20-15(19-13)21-9-11-22-12-10-21/h3-12H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 308.43 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23290147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).