6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine

C13H16N4O — CID 79828246

IUPAC6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
SMILESCOc1ccc(Nc2ccc(N)c(N)n2)cc1C
InChIInChI=1S/C13H16N4O/c1-8-7-9(3-5-11(8)18-2)16-12-6-4-10(14)13(15)17-12/h3-7H,14H2,1-2H3,(H3,15,16,17)
InChIKeyVYXPLYIFWJHNKT-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.31
Rot. Bonds3

About 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine

6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine (PubChem CID 79828246) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
PubChem CID79828246
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
SMILESCOc1ccc(Nc2ccc(N)c(N)n2)cc1C
InChIInChI=1S/C13H16N4O/c1-8-7-9(3-5-11(8)18-2)16-12-6-4-10(14)13(15)17-12/h3-7H,14H2,1-2H3,(H3,15,16,17)
InChIKeyVYXPLYIFWJHNKT-UHFFFAOYSA-N
XLogP2.31
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
6-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyrazin-2-amine
CID 80897203
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
CID 104775528

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine (CID 79828246) is 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine is COc1ccc(Nc2ccc(N)c(N)n2)cc1C.
What is the InChIKey of 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine?
The InChIKey is VYXPLYIFWJHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-7-9(3-5-11(8)18-2)16-12-6-4-10(14)13(15)17-12/h3-7H,14H2,1-2H3,(H3,15,16,17).
What are the key properties of 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine?
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine has a molecular weight of 244.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79828246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).