3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine

C13H19Cl2N3S — CID 102759994

IUPAC3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine
SMILESCCCNc1nc(NC2CCCSC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3S/c1-2-5-16-12-10(14)7-11(15)13(18-12)17-9-4-3-6-19-8-9/h7,9H,2-6,8H2,1H3,(H2,16,17,18)
InChIKeyRJXBSKHAHZWCIW-UHFFFAOYSA-N
MW320.29 g/mol
LogP4.52
Rot. Bonds5

About 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine

3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine (PubChem CID 102759994) has the molecular formula C13H19Cl2N3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine
PubChem CID102759994
Molecular FormulaC13H19Cl2N3S
Molecular Weight320.29 g/mol
Exact Mass319.07
IUPAC Name3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine
SMILESCCCNc1nc(NC2CCCSC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3S/c1-2-5-16-12-10(14)7-11(15)13(18-12)17-9-4-3-6-19-8-9/h7,9H,2-6,8H2,1H3,(H2,16,17,18)
InChIKeyRJXBSKHAHZWCIW-UHFFFAOYSA-N
XLogP4.52
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756272
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
CID 115733683
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
5-nitro-6-N-propyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065276
3,5-dichloro-6-(2-cyclopropylethoxy)-N-propylpyridin-2-amine
CID 106207557
3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
CID 102759264
3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
CID 102758631

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine (CID 102759994) is 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine is CCCNc1nc(NC2CCCSC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine?
The InChIKey is RJXBSKHAHZWCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3S/c1-2-5-16-12-10(14)7-11(15)13(18-12)17-9-4-3-6-19-8-9/h7,9H,2-6,8H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine?
3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine has a molecular weight of 320.29 g/mol, XLogP of 4.52, 5 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-(thian-3-yl)pyridine-2,6-diamine is sourced from PubChem (CID 102759994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).