[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine

C13H16N4O — CID 82478497

IUPAC[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine
SMILESCc1nc(CN)nc(COc2ccccc2C)n1
InChIInChI=1S/C13H16N4O/c1-9-5-3-4-6-11(9)18-8-13-16-10(2)15-12(7-14)17-13/h3-6H,7-8,14H2,1-2H3
InChIKeyUKYXERAINLPPJH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.53
Rot. Bonds4

About [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine

[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine (PubChem CID 82478497) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine
PubChem CID82478497
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine
SMILESCc1nc(CN)nc(COc2ccccc2C)n1
InChIInChI=1S/C13H16N4O/c1-9-5-3-4-6-11(9)18-8-13-16-10(2)15-12(7-14)17-13/h3-6H,7-8,14H2,1-2H3
InChIKeyUKYXERAINLPPJH-UHFFFAOYSA-N
XLogP1.53
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 100802328
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
5-[(2-methylphenoxy)methyl]-2H-tetrazole
CID 82075517
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
ethene;(2-methylphenoxy)methanamine
CID 174405951
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
5-[(2-methylphenoxy)methyl]pyridin-2-amine
CID 62195123
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine?
The IUPAC name of [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine (CID 82478497) is [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine is Cc1nc(CN)nc(COc2ccccc2C)n1.
What is the InChIKey of [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine?
The InChIKey is UKYXERAINLPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-5-3-4-6-11(9)18-8-13-16-10(2)15-12(7-14)17-13/h3-6H,7-8,14H2,1-2H3.
What are the key properties of [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine?
[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine has a molecular weight of 244.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine is sourced from PubChem (CID 82478497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).