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

C13H16N4 — CID 82473895

IUPAC[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
SMILESCc1ccc(C)c(-c2nc(C)nc(CN)n2)c1
InChIInChI=1S/C13H16N4/c1-8-4-5-9(2)11(6-8)13-16-10(3)15-12(7-14)17-13/h4-6H,7,14H2,1-3H3
InChIKeyRMMBWNDWRMWMFB-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.92
Rot. Bonds2

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

[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine (PubChem CID 82473895) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
PubChem CID82473895
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
SMILESCc1ccc(C)c(-c2nc(C)nc(CN)n2)c1
InChIInChI=1S/C13H16N4/c1-8-4-5-9(2)11(6-8)13-16-10(3)15-12(7-14)17-13/h4-6H,7,14H2,1-3H3
InChIKeyRMMBWNDWRMWMFB-UHFFFAOYSA-N
XLogP1.92
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82480164
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine
CID 28808393
2-(2,5-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190972
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(2,5-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62319517
2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine
CID 64983731
2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66296793
[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474357
[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82078799

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The IUPAC name of [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine (CID 82473895) is [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine.
What is the SMILES notation for [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The canonical SMILES for [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine is Cc1ccc(C)c(-c2nc(C)nc(CN)n2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
The InChIKey is RMMBWNDWRMWMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-4-5-9(2)11(6-8)13-16-10(3)15-12(7-14)17-13/h4-6H,7,14H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine?
[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine is sourced from PubChem (CID 82473895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).