5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine

C13H16N2OS — CID 106660447

IUPAC5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
SMILESCOc1cnc(C)cc1NCc1ccc(C)s1
InChIInChI=1S/C13H16N2OS/c1-9-6-12(13(16-3)8-14-9)15-7-11-5-4-10(2)17-11/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyKQJOXKFHSIUZSP-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.38
Rot. Bonds4

About 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine

5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine (PubChem CID 106660447) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
PubChem CID106660447
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
SMILESCOc1cnc(C)cc1NCc1ccc(C)s1
InChIInChI=1S/C13H16N2OS/c1-9-6-12(13(16-3)8-14-9)15-7-11-5-4-10(2)17-11/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyKQJOXKFHSIUZSP-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-methoxy-2-methylpyridin-4-amine
CID 106660226
5-methoxy-2-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-4-amine
CID 106660618
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-nitroaniline
CID 43717727
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline
CID 73353928
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660234
4-bromo-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 79479165
N-[(3-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660476
5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
CID 106660453
3,4-dimethoxy-5-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline;ethane
CID 142222422
6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104599923
N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660477
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine (CID 106660447) is 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine is COc1cnc(C)cc1NCc1ccc(C)s1.
What is the InChIKey of 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
The InChIKey is KQJOXKFHSIUZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-6-12(13(16-3)8-14-9)15-7-11-5-4-10(2)17-11/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 106660447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).