3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine

C12H19Cl2N3 — CID 102755564

IUPAC3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
SMILESCCCC(C)Nc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3/c1-4-6-8(3)16-12-10(14)7-9(13)11(17-12)15-5-2/h7-8H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyAYVQVHVBJRUQKY-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.42
Rot. Bonds6

About 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine (PubChem CID 102755564) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
PubChem CID102755564
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
SMILESCCCC(C)Nc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3/c1-4-6-8(3)16-12-10(14)7-9(13)11(17-12)15-5-2/h7-8H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyAYVQVHVBJRUQKY-UHFFFAOYSA-N
XLogP4.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
CID 106028744
3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine
CID 102758123
3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
CID 102989506
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
CID 102757808
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
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658
3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
CID 102759850
6-butan-2-ylsulfanyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 102761307
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
CID 102759989
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine (CID 102755564) is 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine is CCCC(C)Nc1nc(NCC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine?
The InChIKey is AYVQVHVBJRUQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3/c1-4-6-8(3)16-12-10(14)7-9(13)11(17-12)15-5-2/h7-8H,4-6H2,1-3H3,(H2,15,16,17).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine has a molecular weight of 276.21 g/mol, XLogP of 4.42, 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-pentan-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 102755564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).