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

C13H15Cl2N3S — CID 102756935

IUPAC3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
SMILESCNc1nc(NC(C)Cc2ccsc2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-8(5-9-3-4-19-7-9)17-13-11(15)6-10(14)12(16-2)18-13/h3-4,6-8H,5H2,1-2H3,(H2,16,17,18)
InChIKeyXATKAXIZZOYRHC-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.53
Rot. Bonds5

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

3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine (PubChem CID 102756935) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
PubChem CID102756935
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC Name3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
SMILESCNc1nc(NC(C)Cc2ccsc2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-8(5-9-3-4-19-7-9)17-13-11(15)6-10(14)12(16-2)18-13/h3-4,6-8H,5H2,1-2H3,(H2,16,17,18)
InChIKeyXATKAXIZZOYRHC-UHFFFAOYSA-N
XLogP4.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
CID 102758087
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504
3,5-dichloro-N-methyl-6-thiophen-3-ylpyridin-2-amine
CID 102753501
3,5-dichloro-2-N-methyl-6-N-thiophen-3-ylpyridine-2,6-diamine
CID 102758886
3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 102758446
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine
CID 102758123
2-chloro-4-(1-thiophen-3-ylpropan-2-ylamino)benzonitrile
CID 62946195
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
CID 106538064

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine (CID 102756935) is 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine is CNc1nc(NC(C)Cc2ccsc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine?
The InChIKey is XATKAXIZZOYRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-8(5-9-3-4-19-7-9)17-13-11(15)6-10(14)12(16-2)18-13/h3-4,6-8H,5H2,1-2H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine has a molecular weight of 316.26 g/mol, XLogP of 4.53, 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-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 102756935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).