N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine

C15H18N4O4 — CID 165342438

IUPACN-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1nc(C)nc(N=Cc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C15H18N4O4/c1-9-17-14(19-15(18-9)23-5)16-8-10-6-11(20-2)13(22-4)12(7-10)21-3/h6-8H,1-5H3
InChIKeyMIPXCQMAAGTITH-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.97
Rot. Bonds6

About N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine

N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 165342438) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID165342438
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1nc(C)nc(N=Cc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C15H18N4O4/c1-9-17-14(19-15(18-9)23-5)16-8-10-6-11(20-2)13(22-4)12(7-10)21-3/h6-8H,1-5H3
InChIKeyMIPXCQMAAGTITH-UHFFFAOYSA-N
XLogP1.97
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 165342438) is N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1nc(C)nc(N=Cc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is MIPXCQMAAGTITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-9-17-14(19-15(18-9)23-5)16-8-10-6-11(20-2)13(22-4)12(7-10)21-3/h6-8H,1-5H3.
What are the key properties of N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 318.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 165342438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).