2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine

C16H22N4 — CID 79020665

IUPAC2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(Nc2ccc(N)c(C)n2)cc1
InChIInChI=1S/C16H22N4/c1-4-20(5-2)14-8-6-13(7-9-14)19-16-11-10-15(17)12(3)18-16/h6-11H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyNJWVIYUPPNMDRC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.56
Rot. Bonds5

About 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine

2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine (PubChem CID 79020665) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
PubChem CID79020665
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(Nc2ccc(N)c(C)n2)cc1
InChIInChI=1S/C16H22N4/c1-4-20(5-2)14-8-6-13(7-9-14)19-16-11-10-15(17)12(3)18-16/h6-11H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyNJWVIYUPPNMDRC-UHFFFAOYSA-N
XLogP3.56
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
CID 115147540
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 63963887
4-N-[4-(diethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80828929
4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine
CID 79918177
1-N-[4-(diethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590376
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
CID 113020978
4-N-(3-chloro-4-methylphenyl)-2-N-[4-(diethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904070
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112909556

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine (CID 79020665) is 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine is CCN(CC)c1ccc(Nc2ccc(N)c(C)n2)cc1.
What is the InChIKey of 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine?
The InChIKey is NJWVIYUPPNMDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-20(5-2)14-8-6-13(7-9-14)19-16-11-10-15(17)12(3)18-16/h6-11H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine?
2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 79020665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).