N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine

C21H24N4O — CID 134997342

IUPACN-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(Cc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O/c1-3-4-14-22-21-24-19(15-16-10-12-18(26-2)13-11-16)23-20(25-21)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,23,24,25)
InChIKeyJSFCSRUIZPTGKE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.35
Rot. Bonds8

About N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine

N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 134997342) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine
PubChem CID134997342
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(Cc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O/c1-3-4-14-22-21-24-19(15-16-10-12-18(26-2)13-11-16)23-20(25-21)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,23,24,25)
InChIKeyJSFCSRUIZPTGKE-UHFFFAOYSA-N
XLogP4.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.35
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 N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine (CID 134997342) is N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine is CCCCNc1nc(Cc2ccc(OC)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is JSFCSRUIZPTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-4-14-22-21-24-19(15-16-10-12-18(26-2)13-11-16)23-20(25-21)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine?
N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 134997342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).