3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine

C14H14Cl2N2S — CID 102761495

IUPAC3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCNc1nc(SCc2ccccc2C)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-9-5-3-4-6-10(9)8-19-14-12(16)7-11(15)13(17-2)18-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyORZPHZIHAXEVQE-UHFFFAOYSA-N
MW313.25 g/mol
LogP5.03
Rot. Bonds4

About 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine

3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 102761495) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
PubChem CID102761495
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCNc1nc(SCc2ccccc2C)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-9-5-3-4-6-10(9)8-19-14-12(16)7-11(15)13(17-2)18-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyORZPHZIHAXEVQE-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761494
3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
CID 102761283
N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80889914
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334872
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
[3-chloro-2-[(2-methylphenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 107061189
1-[4-chloro-2-[(2-methylphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114864628
3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine
CID 102988934
tert-butyl 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 102761604
6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 103291539

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine (CID 102761495) is 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine is CNc1nc(SCc2ccccc2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is ORZPHZIHAXEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c1-9-5-3-4-6-10(9)8-19-14-12(16)7-11(15)13(17-2)18-14/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 102761495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).