N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine

C12H13N3S — CID 79239819

IUPACN-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1cccc(CSc2ccccn2)n1
InChIInChI=1S/C12H13N3S/c1-13-11-6-4-5-10(15-11)9-16-12-7-2-3-8-14-12/h2-8H,9H2,1H3,(H,13,15)
InChIKeyYASOCYWJLWKHMG-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine

N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 79239819) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID79239819
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1cccc(CSc2ccccn2)n1
InChIInChI=1S/C12H13N3S/c1-13-11-6-4-5-10(15-11)9-16-12-7-2-3-8-14-12/h2-8H,9H2,1H3,(H,13,15)
InChIKeyYASOCYWJLWKHMG-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79238731
N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine
CID 79239135
6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79239984
2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
CID 79239232
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239474
N-methyl-6-methylsulfanylpyridin-2-amine
CID 59956274
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059738
6-(chloromethyl)-N-methylpyridin-2-amine
CID 90018350
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79239238
6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 79239659

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine (CID 79239819) is N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine is CNc1cccc(CSc2ccccn2)n1.
What is the InChIKey of N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is YASOCYWJLWKHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-13-11-6-4-5-10(15-11)9-16-12-7-2-3-8-14-12/h2-8H,9H2,1H3,(H,13,15).
What are the key properties of N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine?
N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 79239819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).