3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine

C13H14Cl2N4 — CID 102756297

IUPAC3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
SMILESCN(C)c1ccc(Nc2nc(N)c(Cl)cc2Cl)cc1
InChIInChI=1S/C13H14Cl2N4/c1-19(2)9-5-3-8(4-6-9)17-13-11(15)7-10(14)12(16)18-13/h3-7H,1-2H3,(H3,16,17,18)
InChIKeyXJIDMVVTCQRKGZ-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.78
Rot. Bonds3

About 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine (PubChem CID 102756297) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
PubChem CID102756297
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
SMILESCN(C)c1ccc(Nc2nc(N)c(Cl)cc2Cl)cc1
InChIInChI=1S/C13H14Cl2N4/c1-19(2)9-5-3-8(4-6-9)17-13-11(15)7-10(14)12(16)18-13/h3-7H,1-2H3,(H3,16,17,18)
InChIKeyXJIDMVVTCQRKGZ-UHFFFAOYSA-N
XLogP3.78
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.78
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

3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine
CID 102755142
6-N-(4-bromophenyl)-3,5-dichloropyridine-2,6-diamine
CID 102755131
3,5-dichloro-6-N-(3,4-difluorophenyl)pyridine-2,6-diamine
CID 102755062
5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 79021909
3,5-dichloro-6-N-(2-chloro-4-fluorophenyl)pyridine-2,6-diamine
CID 102754342
2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 144618695
3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 102754630
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617217
3,5-dichloro-N-(4-chlorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762339
2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine
CID 61147087
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine
CID 114261721

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine (CID 102756297) is 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine is CN(C)c1ccc(Nc2nc(N)c(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine?
The InChIKey is XJIDMVVTCQRKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-19(2)9-5-3-8(4-6-9)17-13-11(15)7-10(14)12(16)18-13/h3-7H,1-2H3,(H3,16,17,18).
What are the key properties of 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine has a molecular weight of 297.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 102756297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).