6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine

C18H20N6O2 — CID 117093191

IUPAC6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCNc2nc(Nc3cccnc3)nc(OC)n2)cc1
InChIInChI=1S/C18H20N6O2/c1-25-15-7-5-13(6-8-15)9-11-20-16-22-17(24-18(23-16)26-2)21-14-4-3-10-19-12-14/h3-8,10,12H,9,11H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyFBAFFPSANHETBJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.68
Rot. Bonds8

About 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 117093191) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID117093191
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCNc2nc(Nc3cccnc3)nc(OC)n2)cc1
InChIInChI=1S/C18H20N6O2/c1-25-15-7-5-13(6-8-15)9-11-20-16-22-17(24-18(23-16)26-2)21-14-4-3-10-19-12-14/h3-8,10,12H,9,11H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyFBAFFPSANHETBJ-UHFFFAOYSA-N
XLogP2.68
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1,3,5-triazin-2-amine
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4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
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CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine (CID 117093191) is 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine is COc1ccc(CCNc2nc(Nc3cccnc3)nc(OC)n2)cc1.
What is the InChIKey of 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FBAFFPSANHETBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-25-15-7-5-13(6-8-15)9-11-20-16-22-17(24-18(23-16)26-2)21-14-4-3-10-19-12-14/h3-8,10,12H,9,11H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 352.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117093191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).