N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C15H20N4O4 — CID 975498

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(OC)n1
InChIInChI=1S/C15H20N4O4/c1-20-11-6-5-10(9-12(11)21-2)7-8-16-13-17-14(22-3)19-15(18-13)23-4/h5-6,9H,7-8H2,1-4H3,(H,16,17,18,19)
InChIKeyQUOHNEPPJJSMQG-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.56
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 975498) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID975498
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(OC)n1
InChIInChI=1S/C15H20N4O4/c1-20-11-6-5-10(9-12(11)21-2)7-8-16-13-17-14(22-3)19-15(18-13)23-4/h5-6,9H,7-8H2,1-4H3,(H,16,17,18,19)
InChIKeyQUOHNEPPJJSMQG-UHFFFAOYSA-N
XLogP1.56
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 975498) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(OC)c(OC)c2)nc(OC)n1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is QUOHNEPPJJSMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-20-11-6-5-10(9-12(11)21-2)7-8-16-13-17-14(22-3)19-15(18-13)23-4/h5-6,9H,7-8H2,1-4H3,(H,16,17,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 320.35 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 975498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).