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

C16H24N6O — CID 17449981

IUPAC6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1CN(C)C(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H24N6O/c1-11(14-18-15(17)20-16(19-14)21(2)3)22(4)10-12-8-6-7-9-13(12)23-5/h6-9,11H,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyLYBMLDDFCXPKSE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.72
Rot. Bonds6

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

6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17449981) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17449981
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1CN(C)C(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H24N6O/c1-11(14-18-15(17)20-16(19-14)21(2)3)22(4)10-12-8-6-7-9-13(12)23-5/h6-9,11H,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyLYBMLDDFCXPKSE-UHFFFAOYSA-N
XLogP1.72
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34692788
2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 40873251
6-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 94501968
6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38234007
2-N,2-N-dimethyl-6-[1-[methyl(naphthalen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 51281605
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42926111
(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95282474
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
2-N,2-N-dimethyl-6-[1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42894550
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 126787533

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17449981) is 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccccc1CN(C)C(C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LYBMLDDFCXPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11(14-18-15(17)20-16(19-14)21(2)3)22(4)10-12-8-6-7-9-13(12)23-5/h6-9,11H,10H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17449981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).