3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine

C13H20Cl2N4 — CID 102757956

IUPAC3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCCN2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-2-16-12-10(14)9-11(15)13(18-12)17-5-8-19-6-3-4-7-19/h9H,2-8H2,1H3,(H2,16,17,18)
InChIKeyAGGHWYRBKFUEIS-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.33
Rot. Bonds6

About 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine (PubChem CID 102757956) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
PubChem CID102757956
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCCN2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-2-16-12-10(14)9-11(15)13(18-12)17-5-8-19-6-3-4-7-19/h9H,2-8H2,1H3,(H2,16,17,18)
InChIKeyAGGHWYRBKFUEIS-UHFFFAOYSA-N
XLogP3.33
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 102750717
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980
6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309
5-chloro-2-N-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327636
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine (CID 102757956) is 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine is CCNc1nc(NCCN2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
The InChIKey is AGGHWYRBKFUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4/c1-2-16-12-10(14)9-11(15)13(18-12)17-5-8-19-6-3-4-7-19/h9H,2-8H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine has a molecular weight of 303.24 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102757956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).