3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine

C14H17Cl2N3S — CID 102757081

IUPAC3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
SMILESCCCC(Nc1nc(NC)c(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C14H17Cl2N3S/c1-3-5-11(12-6-4-7-20-12)18-14-10(16)8-9(15)13(17-2)19-14/h4,6-8,11H,3,5H2,1-2H3,(H2,17,18,19)
InChIKeyGHBJHKKJIPPKSZ-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.44
Rot. Bonds6

About 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine

3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine (PubChem CID 102757081) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
PubChem CID102757081
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
SMILESCCCC(Nc1nc(NC)c(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C14H17Cl2N3S/c1-3-5-11(12-6-4-7-20-12)18-14-10(16)8-9(15)13(17-2)19-14/h4,6-8,11H,3,5H2,1-2H3,(H2,17,18,19)
InChIKeyGHBJHKKJIPPKSZ-UHFFFAOYSA-N
XLogP5.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
5-chloro-2-N-methyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807609
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine (CID 102757081) is 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine is CCCC(Nc1nc(NC)c(Cl)cc1Cl)c1cccs1.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
The InChIKey is GHBJHKKJIPPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3S/c1-3-5-11(12-6-4-7-20-12)18-14-10(16)8-9(15)13(17-2)19-14/h4,6-8,11H,3,5H2,1-2H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine has a molecular weight of 330.28 g/mol, XLogP of 5.44, 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-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine is sourced from PubChem (CID 102757081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).