2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine

C18H17N3O — CID 171108749

IUPAC2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
SMILESCCc1nc(-c2ccccc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H17N3O/c1-3-16-19-17(13-7-5-4-6-8-13)21-18(20-16)14-9-11-15(22-2)12-10-14/h4-12H,3H2,1-2H3
InChIKeyPMEIQFINQSQOPS-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.78
Rot. Bonds4

About 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine

2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 171108749) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
PubChem CID171108749
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
SMILESCCc1nc(-c2ccccc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H17N3O/c1-3-16-19-17(13-7-5-4-6-8-13)21-18(20-16)14-9-11-15(22-2)12-10-14/h4-12H,3H2,1-2H3
InChIKeyPMEIQFINQSQOPS-UHFFFAOYSA-N
XLogP3.78
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine (CID 171108749) is 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine is CCc1nc(-c2ccccc2)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is PMEIQFINQSQOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-16-19-17(13-7-5-4-6-8-13)21-18(20-16)14-9-11-15(22-2)12-10-14/h4-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine?
2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 291.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171108749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).