3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine

C16H19Cl2N3 — CID 102758123

IUPAC3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine
SMILESCCNc1nc(NC(C)Cc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-3-19-15-13(17)10-14(18)16(21-15)20-11(2)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,19,20,21)
InChIKeyKZCDDXIQOTZITH-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.86
Rot. Bonds6

About 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine (PubChem CID 102758123) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine
PubChem CID102758123
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine
SMILESCCNc1nc(NC(C)Cc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-3-19-15-13(17)10-14(18)16(21-15)20-11(2)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,19,20,21)
InChIKeyKZCDDXIQOTZITH-UHFFFAOYSA-N
XLogP4.86
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
CID 102758087
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
CID 106028744
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine (CID 102758123) is 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine is CCNc1nc(NC(C)Cc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine?
The InChIKey is KZCDDXIQOTZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-3-19-15-13(17)10-14(18)16(21-15)20-11(2)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine has a molecular weight of 324.26 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 102758123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).