3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine

C13H19Cl2N3 — CID 102755827

IUPAC3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(CC)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-3-7-16-12-10(14)8-11(15)13(17-12)18(4-2)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyMYISKZCKSLHHIF-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.20
Rot. Bonds6

About 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine (PubChem CID 102755827) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
PubChem CID102755827
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(CC)C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-3-7-16-12-10(14)8-11(15)13(17-12)18(4-2)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyMYISKZCKSLHHIF-UHFFFAOYSA-N
XLogP4.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
CID 102756727
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756278
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 102760184
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
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

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine (CID 102755827) is 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine is CCCNc1nc(N(CC)C2CC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is MYISKZCKSLHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-3-7-16-12-10(14)8-11(15)13(17-12)18(4-2)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 288.22 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).