N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine

C13H16N4O — CID 163936403

IUPACN-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(C)nc(C)n2)cc1C
InChIInChI=1S/C13H16N4O/c1-8-7-11(5-6-12(8)18-4)17-13-15-9(2)14-10(3)16-13/h5-7H,1-4H3,(H,14,15,16,17)
InChIKeyRNERVLFLLGAUOW-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.55
Rot. Bonds3

About N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine

N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine (PubChem CID 163936403) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
PubChem CID163936403
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(C)nc(C)n2)cc1C
InChIInChI=1S/C13H16N4O/c1-8-7-11(5-6-12(8)18-4)17-13-15-9(2)14-10(3)16-13/h5-7H,1-4H3,(H,14,15,16,17)
InChIKeyRNERVLFLLGAUOW-UHFFFAOYSA-N
XLogP2.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(4-methoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 143126757
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
6-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyrazin-2-amine
CID 80897203
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80916230
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine (CID 163936403) is N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(C)nc(C)n2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is RNERVLFLLGAUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-7-11(5-6-12(8)18-4)17-13-15-9(2)14-10(3)16-13/h5-7H,1-4H3,(H,14,15,16,17).
What are the key properties of N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 163936403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).