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

C14H19N5O — CID 80791524

IUPAC6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCc2ccccc2C)n1
InChIInChI=1S/C14H19N5O/c1-4-20-14-18-12(15-3)17-13(19-14)16-9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyCBQMZMVGXMAQKB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds6

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

6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80791524) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80791524
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCc2ccccc2C)n1
InChIInChI=1S/C14H19N5O/c1-4-20-14-18-12(15-3)17-13(19-14)16-9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyCBQMZMVGXMAQKB-UHFFFAOYSA-N
XLogP2.23
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80850454
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785749
4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80898763
2-N-[(5-bromothiophen-2-yl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80836556
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80812370
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 80791524) is 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCc2ccccc2C)n1.
What is the InChIKey of 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CBQMZMVGXMAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-20-14-18-12(15-3)17-13(19-14)16-9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80791524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).