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

C13H18N6O — CID 8793303

IUPAC6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C13H18N6O/c1-19(7-9-3-5-10(20-2)6-4-9)8-11-16-12(14)18-13(15)17-11/h3-6H,7-8H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyXIHUDLCFMZPSMT-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.68
Rot. Bonds5

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

6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8793303) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID8793303
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C13H18N6O/c1-19(7-9-3-5-10(20-2)6-4-9)8-11-16-12(14)18-13(15)17-11/h3-6H,7-8H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyXIHUDLCFMZPSMT-UHFFFAOYSA-N
XLogP0.68
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8845028
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117038966
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
6-[[methyl-[2-(4-methylphenoxy)ethyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 26429610
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
CID 135188115
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
CID 83240227

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (CID 8793303) is 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(CN(C)Cc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XIHUDLCFMZPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-19(7-9-3-5-10(20-2)6-4-9)8-11-16-12(14)18-13(15)17-11/h3-6H,7-8H2,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8793303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).