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

C17H26N6O2 — CID 34692788

IUPAC6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1
InChIInChI=1S/C17H26N6O2/c1-11(15-19-16(18)21-17(20-15)22(2)3)23(4)10-12-7-8-13(24-5)9-14(12)25-6/h7-9,11H,10H2,1-6H3,(H2,18,19,20,21)/t11-/m0/s1
InChIKeyJYEZTIOFMRJOGF-NSHDSACASA-N
MW346.44 g/mol
LogP1.73
Rot. Bonds7

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

6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 34692788) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID34692788
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1
InChIInChI=1S/C17H26N6O2/c1-11(15-19-16(18)21-17(20-15)22(2)3)23(4)10-12-7-8-13(24-5)9-14(12)25-6/h7-9,11H,10H2,1-6H3,(H2,18,19,20,21)/t11-/m0/s1
InChIKeyJYEZTIOFMRJOGF-NSHDSACASA-N
XLogP1.73
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17449981
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-[(1R)-1-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 94501968
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
2-N,2-N-dimethyl-6-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42926111
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-3-methoxyaniline
CID 107208402
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816631
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 34692788) is 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1.
What is the InChIKey of 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JYEZTIOFMRJOGF-NSHDSACASA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(15-19-16(18)21-17(20-15)22(2)3)23(4)10-12-7-8-13(24-5)9-14(12)25-6/h7-9,11H,10H2,1-6H3,(H2,18,19,20,21)/t11-/m0/s1.
What are the key properties of 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.44 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34692788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).