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

C14H20N6O2 — CID 8845028

IUPAC6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2nc(N)nc(N)n2)cc1OC
InChIInChI=1S/C14H20N6O2/c1-20(8-12-17-13(15)19-14(16)18-12)7-9-4-5-10(21-2)11(6-9)22-3/h4-6H,7-8H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyYQTKSMKAPYBQKX-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.69
Rot. Bonds6

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

6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8845028) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID8845028
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2nc(N)nc(N)n2)cc1OC
InChIInChI=1S/C14H20N6O2/c1-20(8-12-17-13(15)19-14(16)18-12)7-9-4-5-10(21-2)11(6-9)22-3/h4-6H,7-8H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyYQTKSMKAPYBQKX-UHFFFAOYSA-N
XLogP0.69
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 17489842
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
CID 75431201
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropan-1-amine
CID 80667582

Frequently Asked Questions

What is the IUPAC name of 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (CID 8845028) is 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(CN(C)Cc2nc(N)nc(N)n2)cc1OC.
What is the InChIKey of 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YQTKSMKAPYBQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-20(8-12-17-13(15)19-14(16)18-12)7-9-4-5-10(21-2)11(6-9)22-3/h4-6H,7-8H2,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 304.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8845028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).