5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine

C14H16N2O2S — CID 43301902

IUPAC5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
SMILESCOc1ccc(OC)c(CSc2ccc(N)nc2)c1
InChIInChI=1S/C14H16N2O2S/c1-17-11-3-5-13(18-2)10(7-11)9-19-12-4-6-14(15)16-8-12/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyOVXQWMVSDHMVOZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.97
Rot. Bonds5

About 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine

5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 43301902) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
PubChem CID43301902
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
SMILESCOc1ccc(OC)c(CSc2ccc(N)nc2)c1
InChIInChI=1S/C14H16N2O2S/c1-17-11-3-5-13(18-2)10(7-11)9-19-12-4-6-14(15)16-8-12/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyOVXQWMVSDHMVOZ-UHFFFAOYSA-N
XLogP2.97
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301933
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
5-bromo-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 43305831
4-chloro-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 79527794
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-fluoroaniline
CID 79148966
3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline
CID 43134707
2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
CID 62000126
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
CID 43302227
3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 24657718
2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 43301707
methyl 3-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-2-carboxylate
CID 43301854
2-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 64770255

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine (CID 43301902) is 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine is COc1ccc(OC)c(CSc2ccc(N)nc2)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is OVXQWMVSDHMVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-11-3-5-13(18-2)10(7-11)9-19-12-4-6-14(15)16-8-12/h3-8H,9H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine?
5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).