2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine

C16H22N4O — CID 106759477

IUPAC2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccccc2N(C)C)ccc1N
InChIInChI=1S/C16H22N4O/c1-4-11-21-16-12(17)9-10-15(19-16)18-13-7-5-6-8-14(13)20(2)3/h5-10H,4,11,17H2,1-3H3,(H,18,19)
InChIKeyCMTATQIXJYLUOX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.26
Rot. Bonds6

About 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine

2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine (PubChem CID 106759477) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
PubChem CID106759477
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccccc2N(C)C)ccc1N
InChIInChI=1S/C16H22N4O/c1-4-11-21-16-12(17)9-10-15(19-16)18-13-7-5-6-8-14(13)20(2)3/h5-10H,4,11,17H2,1-3H3,(H,18,19)
InChIKeyCMTATQIXJYLUOX-UHFFFAOYSA-N
XLogP3.26
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802693
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
CID 43805886
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 65467537
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
CID 61476370

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine (CID 106759477) is 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine is CCCOc1nc(Nc2ccccc2N(C)C)ccc1N.
What is the InChIKey of 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine?
The InChIKey is CMTATQIXJYLUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-11-21-16-12(17)9-10-15(19-16)18-13-7-5-6-8-14(13)20(2)3/h5-10H,4,11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine?
2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 106759477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).