6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C18H19N5O3 — CID 1090238

IUPAC6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C18H19N5O3/c1-24-12-7-9-13(10-8-12)26-11-16-21-17(19)23-18(22-16)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyKAMSGKNVDXIKTF-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.79
Rot. Bonds7

About 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1090238) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1090238
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C18H19N5O3/c1-24-12-7-9-13(10-8-12)26-11-16-21-17(19)23-18(22-16)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyKAMSGKNVDXIKTF-UHFFFAOYSA-N
XLogP2.79
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 1090238) is 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(OCc2nc(N)nc(Nc3ccccc3OC)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KAMSGKNVDXIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-24-12-7-9-13(10-8-12)26-11-16-21-17(19)23-18(22-16)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1090238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).