4-(3-methoxyphenyl)pyridine-2,6-diamine

C12H13N3O — CID 18313645

IUPAC4-(3-methoxyphenyl)pyridine-2,6-diamine
SMILESCOc1cccc(-c2cc(N)nc(N)c2)c1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-3-8(5-10)9-6-11(13)15-12(14)7-9/h2-7H,1H3,(H4,13,14,15)
InChIKeyMYLKMXCXGPPKDK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.92
Rot. Bonds2

About 4-(3-methoxyphenyl)pyridine-2,6-diamine

4-(3-methoxyphenyl)pyridine-2,6-diamine (PubChem CID 18313645) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)pyridine-2,6-diamine
PubChem CID18313645
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(3-methoxyphenyl)pyridine-2,6-diamine
SMILESCOc1cccc(-c2cc(N)nc(N)c2)c1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-3-8(5-10)9-6-11(13)15-12(14)7-9/h2-7H,1H3,(H4,13,14,15)
InChIKeyMYLKMXCXGPPKDK-UHFFFAOYSA-N
XLogP1.92
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
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1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
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2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
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6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493
2,3-difluoro-5-(3-methoxyphenyl)aniline
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3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479018
ethane;1-methoxy-3-(3-methylphenyl)benzene
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1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)pyridine-2,6-diamine?
The IUPAC name of 4-(3-methoxyphenyl)pyridine-2,6-diamine (CID 18313645) is 4-(3-methoxyphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(3-methoxyphenyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(3-methoxyphenyl)pyridine-2,6-diamine is COc1cccc(-c2cc(N)nc(N)c2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)pyridine-2,6-diamine?
The InChIKey is MYLKMXCXGPPKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-10-4-2-3-8(5-10)9-6-11(13)15-12(14)7-9/h2-7H,1H3,(H4,13,14,15).
What are the key properties of 4-(3-methoxyphenyl)pyridine-2,6-diamine?
4-(3-methoxyphenyl)pyridine-2,6-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 18313645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).