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

C21H26N6O — CID 9156171

IUPAC6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H26N6O/c1-4-28-18-11-7-16(8-12-18)13-27(3)14-19-24-20(22)26-21(25-19)23-17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyLVLBFQCRZJVCBK-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.54
Rot. Bonds8

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

6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 9156171) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID9156171
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H26N6O/c1-4-28-18-11-7-16(8-12-18)13-27(3)14-19-24-20(22)26-21(25-19)23-17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyLVLBFQCRZJVCBK-UHFFFAOYSA-N
XLogP3.54
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 9156171) is 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is CCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LVLBFQCRZJVCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-4-28-18-11-7-16(8-12-18)13-27(3)14-19-24-20(22)26-21(25-19)23-17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3,(H3,22,23,24,25,26).
What are the key properties of 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 9156171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).