3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine

C16H19Cl2N3 — CID 102755080

IUPAC3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(C)cc2C)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-4-7-19-15-12(17)9-13(18)16(21-15)20-14-6-5-10(2)8-11(14)3/h5-6,8-9H,4,7H2,1-3H3,(H2,19,20,21)
InChIKeyWNIGACSCNAIXNU-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.57
Rot. Bonds5

About 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102755080) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102755080
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(C)cc2C)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-4-7-19-15-12(17)9-13(18)16(21-15)20-14-6-5-10(2)8-11(14)3/h5-6,8-9H,4,7H2,1-3H3,(H2,19,20,21)
InChIKeyWNIGACSCNAIXNU-UHFFFAOYSA-N
XLogP5.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
3,5-dichloro-2-N-ethyl-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-diamine
CID 102754963
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine (CID 102755080) is 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(Nc2ccc(C)cc2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is WNIGACSCNAIXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-7-19-15-12(17)9-13(18)16(21-15)20-14-6-5-10(2)8-11(14)3/h5-6,8-9H,4,7H2,1-3H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 324.26 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).