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

C18H19N5O2 — CID 714743

IUPAC6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-3-5-13(6-4-12)20-18-22-16(21-17(19)23-18)11-25-15-9-7-14(24-2)8-10-15/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyKHMUPPCKLDUCFE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.09
Rot. Bonds6

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

6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 714743) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID714743
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-3-5-13(6-4-12)20-18-22-16(21-17(19)23-18)11-25-15-9-7-14(24-2)8-10-15/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyKHMUPPCKLDUCFE-UHFFFAOYSA-N
XLogP3.09
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 714743) is 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KHMUPPCKLDUCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-3-5-13(6-4-12)20-18-22-16(21-17(19)23-18)11-25-15-9-7-14(24-2)8-10-15/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 337.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 714743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).