3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine

C13H15Cl2N3S — CID 102755816

IUPAC3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCc2cccs2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-2-5-16-12-10(14)7-11(15)13(18-12)17-8-9-4-3-6-19-9/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyCQKIZRNINUOUHA-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.88
Rot. Bonds6

About 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine

3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine (PubChem CID 102755816) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
PubChem CID102755816
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC Name3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCc2cccs2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-2-5-16-12-10(14)7-11(15)13(18-12)17-8-9-4-3-6-19-9/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyCQKIZRNINUOUHA-UHFFFAOYSA-N
XLogP4.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102758506
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102758253
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine (CID 102755816) is 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine is CCCNc1nc(NCc2cccs2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
The InChIKey is CQKIZRNINUOUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-2-5-16-12-10(14)7-11(15)13(18-12)17-8-9-4-3-6-19-9/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine has a molecular weight of 316.26 g/mol, XLogP of 4.88, 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-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).