6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine

C12H13ClN2S — CID 104599923

IUPAC6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2cnc(Cl)cc2C)s1
InChIInChI=1S/C12H13ClN2S/c1-8-5-12(13)15-7-11(8)14-6-10-4-3-9(2)16-10/h3-5,7,14H,6H2,1-2H3
InChIKeyLIQPLYHXPBTJKH-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.03
Rot. Bonds3

About 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine

6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine (PubChem CID 104599923) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
PubChem CID104599923
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2cnc(Cl)cc2C)s1
InChIInChI=1S/C12H13ClN2S/c1-8-5-12(13)15-7-11(8)14-6-10-4-3-9(2)16-10/h3-5,7,14H,6H2,1-2H3
InChIKeyLIQPLYHXPBTJKH-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28536769
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
6-chloro-4-methyl-N-propylpyridin-3-amine
CID 130497608
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187
2-chloro-N-[(5-methylthiophen-2-yl)methyl]thiophen-3-amine
CID 130653792
4-bromo-2-chloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43347207
5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 106660447
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 103585292
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine (CID 104599923) is 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine is Cc1ccc(CNc2cnc(Cl)cc2C)s1.
What is the InChIKey of 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
The InChIKey is LIQPLYHXPBTJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-5-12(13)15-7-11(8)14-6-10-4-3-9(2)16-10/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine?
6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine has a molecular weight of 252.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104599923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).