6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine

C13H14N2S — CID 80652578

IUPAC6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCc1cccc(CSc2cccc(N)n2)c1
InChIInChI=1S/C13H14N2S/c1-10-4-2-5-11(8-10)9-16-13-7-3-6-12(14)15-13/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyCKUTYCVSDXEZGK-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.26
Rot. Bonds3

About 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine

6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 80652578) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
PubChem CID80652578
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCc1cccc(CSc2cccc(N)n2)c1
InChIInChI=1S/C13H14N2S/c1-10-4-2-5-11(8-10)9-16-13-7-3-6-12(14)15-13/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyCKUTYCVSDXEZGK-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 63538558
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 81138237
2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 63538557
3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
CID 12006192
2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80995752
2-[(3-methylphenyl)methylsulfanyl]-1,3-benzoxazol-4-amine
CID 79883047
2,4-diamino-5-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135434152
5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine
CID 7351661
5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
CID 62766078
5-iodo-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 66081378
2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine
CID 23293958

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine (CID 80652578) is 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine is Cc1cccc(CSc2cccc(N)n2)c1.
What is the InChIKey of 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is CKUTYCVSDXEZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-4-2-5-11(8-10)9-16-13-7-3-6-12(14)15-13/h2-8H,9H2,1H3,(H2,14,15).
What are the key properties of 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine?
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 80652578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).