[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine

C16H16N4S — CID 63808788

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine
SMILESCc1cc(C)nc(Sc2nc3ccccc3cc2CN)n1
InChIInChI=1S/C16H16N4S/c1-10-7-11(2)19-16(18-10)21-15-13(9-17)8-12-5-3-4-6-14(12)20-15/h3-8H,9,17H2,1-2H3
InChIKeyFKGGCSZJJUMUIR-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.25
Rot. Bonds3

About [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine

[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine (PubChem CID 63808788) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine
PubChem CID63808788
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine
SMILESCc1cc(C)nc(Sc2nc3ccccc3cc2CN)n1
InChIInChI=1S/C16H16N4S/c1-10-7-11(2)19-16(18-10)21-15-13(9-17)8-12-5-3-4-6-14(12)20-15/h3-8H,9,17H2,1-2H3
InChIKeyFKGGCSZJJUMUIR-UHFFFAOYSA-N
XLogP3.25
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine (CID 63808788) is [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine is Cc1cc(C)nc(Sc2nc3ccccc3cc2CN)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine?
The InChIKey is FKGGCSZJJUMUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-10-7-11(2)19-16(18-10)21-15-13(9-17)8-12-5-3-4-6-14(12)20-15/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine?
[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine has a molecular weight of 296.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine is sourced from PubChem (CID 63808788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).