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

C14H16Cl2N4 — CID 102755416

IUPAC3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCCc2ccccn2)c(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4/c1-2-17-13-11(15)9-12(16)14(20-13)19-8-6-10-5-3-4-7-18-10/h3-5,7,9H,2,6,8H2,1H3,(H2,17,19,20)
InChIKeyULHSGWFFUPSHLF-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.87
Rot. Bonds6

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

3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine (PubChem CID 102755416) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
PubChem CID102755416
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCCc2ccccn2)c(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4/c1-2-17-13-11(15)9-12(16)14(20-13)19-8-6-10-5-3-4-7-18-10/h3-5,7,9H,2,6,8H2,1H3,(H2,17,19,20)
InChIKeyULHSGWFFUPSHLF-UHFFFAOYSA-N
XLogP3.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
CID 23770473
6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80938770
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
3,5-dichloro-2-N-propyl-6-N-(1-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102756051
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80945511
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114921592

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine (CID 102755416) is 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine is CCNc1nc(NCCc2ccccn2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
The InChIKey is ULHSGWFFUPSHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-2-17-13-11(15)9-12(16)14(20-13)19-8-6-10-5-3-4-7-18-10/h3-5,7,9H,2,6,8H2,1H3,(H2,17,19,20).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine has a molecular weight of 311.22 g/mol, XLogP of 3.87, 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-pyridin-2-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).