2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine

C14H17N3O — CID 114252576

IUPAC2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine
SMILESCOc1ccc(C)c(Nc2nc(C)ccc2N)c1
InChIInChI=1S/C14H17N3O/c1-9-4-6-11(18-3)8-13(9)17-14-12(15)7-5-10(2)16-14/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyOSXUSBQXYGFZDZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.03
Rot. Bonds3

About 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine

2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine (PubChem CID 114252576) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine
PubChem CID114252576
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine
SMILESCOc1ccc(C)c(Nc2nc(C)ccc2N)c1
InChIInChI=1S/C14H17N3O/c1-9-4-6-11(18-3)8-13(9)17-14-12(15)7-5-10(2)16-14/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyOSXUSBQXYGFZDZ-UHFFFAOYSA-N
XLogP3.03
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 86045530
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine
CID 70480176
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,3-diamine
CID 82059672
3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103078443

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine (CID 114252576) is 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine is COc1ccc(C)c(Nc2nc(C)ccc2N)c1.
What is the InChIKey of 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine?
The InChIKey is OSXUSBQXYGFZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-4-6-11(18-3)8-13(9)17-14-12(15)7-5-10(2)16-14/h4-8H,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine?
2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 114252576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).