4-butoxy-6-phenyl-1,3,5-triazin-2-amine

C13H16N4O — CID 2256009

IUPAC4-butoxy-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4O/c1-2-3-9-18-13-16-11(15-12(14)17-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17)
InChIKeyCBEJJXRWHPEGCE-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.30
Rot. Bonds5

About 4-butoxy-6-phenyl-1,3,5-triazin-2-amine

4-butoxy-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 2256009) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-butoxy-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butoxy-6-phenyl-1,3,5-triazin-2-amine
PubChem CID2256009
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-butoxy-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4O/c1-2-3-9-18-13-16-11(15-12(14)17-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17)
InChIKeyCBEJJXRWHPEGCE-UHFFFAOYSA-N
XLogP2.30
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butoxy-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butoxy-6-phenyl-1,3,5-triazin-2-amine (CID 2256009) is 4-butoxy-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butoxy-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butoxy-6-phenyl-1,3,5-triazin-2-amine is CCCCOc1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 4-butoxy-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is CBEJJXRWHPEGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-3-9-18-13-16-11(15-12(14)17-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-butoxy-6-phenyl-1,3,5-triazin-2-amine?
4-butoxy-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2256009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).