3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine

C13H19Cl2N3 — CID 102759850

IUPAC3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NCC(C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-3-16-12-10(14)6-11(15)13(18-12)17-7-8(2)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H2,16,17,18)
InChIKeyDXYNPUIVNIUIIO-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.28
Rot. Bonds6

About 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine

3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 102759850) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID102759850
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NCC(C)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-3-16-12-10(14)6-11(15)13(18-12)17-7-8(2)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H2,16,17,18)
InChIKeyDXYNPUIVNIUIIO-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
3,5-dichloro-6-N-(1-cyclopropylethyl)-2-N-ethyl-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 102757373
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
2,6-dichloro-1-N-(2-cyclopropylpropyl)benzene-1,4-diamine
CID 106890779
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
CID 102759622
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine (CID 102759850) is 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine is CCNc1nc(NCC(C)C2CC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is DXYNPUIVNIUIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-3-16-12-10(14)6-11(15)13(18-12)17-7-8(2)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 288.22 g/mol, XLogP of 4.28, 6 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-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 102759850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).