N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline

C14H17N3OS — CID 144784676

IUPACN-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline
SMILESCNc1cccc(SC)c1COc1nccnc1C
InChIInChI=1S/C14H17N3OS/c1-10-14(17-8-7-16-10)18-9-11-12(15-2)5-4-6-13(11)19-3/h4-8,15H,9H2,1-3H3
InChIKeyFVILMAMLPJUBBV-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline

N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline (PubChem CID 144784676) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline
PubChem CID144784676
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline
SMILESCNc1cccc(SC)c1COc1nccnc1C
InChIInChI=1S/C14H17N3OS/c1-10-14(17-8-7-16-10)18-9-11-12(15-2)5-4-6-13(11)19-3/h4-8,15H,9H2,1-3H3
InChIKeyFVILMAMLPJUBBV-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline
CID 144783967
2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline
CID 144784163
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037
2-methyl-3-methylsulfanylpyridine;propane
CID 142465096
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
1,3-diamino-1-[3-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]phenyl]urea;ethane
CID 144784494

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline?
The IUPAC name of N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline (CID 144784676) is N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline.
What is the SMILES notation for N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline?
The canonical SMILES for N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline is CNc1cccc(SC)c1COc1nccnc1C.
What is the InChIKey of N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline?
The InChIKey is FVILMAMLPJUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-14(17-8-7-16-10)18-9-11-12(15-2)5-4-6-13(11)19-3/h4-8,15H,9H2,1-3H3.
What are the key properties of N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline?
N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline has a molecular weight of 275.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline is sourced from PubChem (CID 144784676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).